Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files
xet
Community
1
cif
stringlengths
674
4.09k
formula
stringlengths
1
20
spacegroup
stringlengths
2
10
spacegroup_number
int64
1
230
crystal_system
stringclasses
7 values
pointgroup
stringlengths
1
5
density
float64
91.6
41.4k
is_longer_than_allowed
bool
2 classes
[CIF] data_CoSbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73350497 _cell_length_b 3.73350497 _cell_length_c 3.73350497 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSbO3 _chemical_formula_sum 'Co1 Sb1 O3' _cell_volume 52.04154740 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 O O1 1 0.00000000 0.00000000 1.86675248 1 O O2 1 0.00000000 1.86675248 0.00000000 1 O O3 1 1.86675248 0.00000000 0.00000000 1 Sb Sb4 1 1.86675248 1.86675248 1.86675248 1 [/CIF]
CoO3Sb
Pm-3m
221
cubic
m-3m
7,297.073484
false
[CIF] data_NaMgTaHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90706731 _cell_length_b 4.90706731 _cell_length_c 4.90706731 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMgTaHg _chemical_formula_sum 'Na1 Mg1 Ta1 Hg1' _cell_volume 83.55088368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 5.20473086 5.20473086 5.20473086 1 Mg Mg1 1 3.46982057 3.46982057 3.46982057 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.73491028 1.73491028 1.73491028 1 [/CIF]
HgMgNaTa
F-43m
216
cubic
-43m
8,522.870565
false
[CIF] data_Fe2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06948292 _cell_length_b 3.59668103 _cell_length_c 7.63881392 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2Ni _chemical_formula_sum 'Fe8 Ni4' _cell_volume 139.28088554 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.65588889 0.89917026 1.85304082 1 Fe Fe1 1 1.87885257 2.69751077 5.67244778 1 Fe Fe2 1 3.19063035 0.89917026 1.96636614 1 Fe Fe3 1 4.41359403 2.69751077 5.78577310 1 Fe Fe4 1 0.62258943 0.89917026 4.42829789 1 Fe Fe5 1 1.91215203 2.69751077 0.60889093 1 Fe Fe6 1 3.15733089 0.89917026 7.02992299 1 Fe Fe7 1 4.44689349 2.69751077 3.21051603 1 Ni Ni8 1 3.13781688 0.89917026 4.46784555 1 Ni Ni9 1 4.46640750 2.69751077 0.64843859 1 Ni Ni10 1 0.60307542 0.89917026 6.99037533 1 Ni Ni11 1 1.93166604 2.69751077 3.17096837 1 [/CIF]
Fe8Ni4
Pnma
62
orthorhombic
mmm
8,125.401872
false
[CIF] data_Ti3Al3V2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19583626 _cell_length_b 6.36237840 _cell_length_c 8.34251679 _cell_angle_alpha 104.17456986 _cell_angle_beta 103.91667051 _cell_angle_gamma 95.42269799 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Al3V2 _chemical_formula_sum 'Ti6 Al6 V4' _cell_volume 256.06947774 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 -0.71871466 1.16911397 3.14499854 1 Al Al1 1 3.30682635 2.92224669 4.63591994 1 Al Al2 1 0.18561732 1.96552678 0.40401167 1 Al Al3 1 2.40249438 2.12583388 7.37690682 1 Al Al4 1 0.32251661 5.82640623 1.68476338 1 Al Al5 1 2.26559508 -1.73504557 6.09615511 1 Ti Ti6 1 0.29744250 -0.97609660 4.37644771 1 Ti Ti7 1 2.29066920 5.06745726 3.40447078 1 Ti Ti8 1 1.90277678 1.98579953 2.53031174 1 Ti Ti9 1 0.68533491 2.10556113 5.25060675 1 Ti Ti10 1 3.53952380 0.00136972 0.94306763 1 Ti Ti11 1 -0.95141211 4.08999094 6.83785086 1 V V12 1 4.05977153 3.58476716 2.11247945 1 V V13 1 -1.47165984 0.50659350 5.66843903 1 V V14 1 1.88244721 4.02893385 0.62102802 1 V V15 1 0.70566449 0.06242681 7.15989047 1 [/CIF]
Al6Ti6V4
P-1
2
triclinic
-1
4,233.596864
false
[CIF] data_VSeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94711572 _cell_length_b 3.94711572 _cell_length_c 3.94711572 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VSeO3 _chemical_formula_sum 'V1 Se1 O3' _cell_volume 61.49496762 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 0.00000000 1.97355786 1.97355786 1 O O1 1 1.97355786 0.00000000 1.97355786 1 O O2 1 1.97355786 1.97355786 0.00000000 1 Se Se3 1 1.97355786 1.97355786 1.97355786 1 V V4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
O3SeV
Pm-3m
221
cubic
m-3m
4,803.797989
false
[CIF] data_CaSb2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77790430 _cell_length_b 3.77790430 _cell_length_c 6.86650899 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSb2Pt _chemical_formula_sum 'Ca1 Sb2 Pt1' _cell_volume 98.00266773 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 3.44009841 1 Pt Pt1 1 1.88895215 1.88895215 5.59214947 1 Sb Sb2 1 0.00000000 0.00000000 6.54741758 1 Sb Sb3 1 1.88895215 1.88895215 1.58660702 1 [/CIF]
CaPtSb2
P4mm
99
tetragonal
4mm
8,110.699228
false
[CIF] data_LiMgCrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56887908 _cell_length_b 4.56887908 _cell_length_c 4.56887908 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgCrAu _chemical_formula_sum 'Li1 Mg1 Cr1 Au1' _cell_volume 67.43944611 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.84602807 4.84602807 4.84602807 1 Cr Cr1 1 3.23068538 3.23068538 3.23068538 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Mg Mg3 1 1.61534269 1.61534269 1.61534269 1 [/CIF]
AuCrLiMg
F-43m
216
cubic
-43m
6,899.484923
false
[CIF] data_Hg3(PS4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.04186000 _cell_length_b 11.04186000 _cell_length_c 11.04186000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg3(PS4)2 _chemical_formula_sum 'Hg12 P8 S32' _cell_volume 1346.25307792 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.41143680 4.55837794 3.08940201 1 Hg Hg1 1 4.10949320 6.48348206 8.61033201 1 Hg Hg2 1 9.63042320 10.07930794 2.43152799 1 Hg Hg3 1 3.08940201 1.41143680 4.55837794 1 Hg Hg4 1 6.93236680 0.96255206 7.95245799 1 Hg Hg5 1 8.61033201 4.10949320 6.48348206 1 Hg Hg6 1 2.43152799 9.63042320 10.07930794 1 Hg Hg7 1 7.95245799 6.93236680 0.96255206 1 Hg Hg8 1 4.55837794 3.08940201 1.41143680 1 Hg Hg9 1 10.07930794 2.43152799 9.63042320 1 Hg Hg10 1 0.96255206 7.95245799 6.93236680 1 Hg Hg11 1 6.48348206 8.61033201 4.10949320 1 P P12 1 4.57569157 4.57569157 4.57569157 1 P P13 1 0.94523843 6.46616843 10.09662157 1 P P14 1 6.46616843 10.09662157 0.94523843 1 P P15 1 10.09662157 0.94523843 6.46616843 1 P P16 1 1.47418769 1.47418769 1.47418769 1 P P17 1 4.04674231 9.56767231 6.99511769 1 P P18 1 9.56767231 6.99511769 4.04674231 1 P P19 1 6.99511769 4.04674231 9.56767231 1 S S20 1 5.72034599 5.72034599 5.72034599 1 S S21 1 10.84244401 5.32151401 0.19941599 1 S S22 1 5.32151401 0.19941599 10.84244401 1 S S23 1 0.19941599 10.84244401 5.32151401 1 S S24 1 0.28714357 0.28714357 0.28714357 1 S S25 1 5.23378643 10.75471643 5.80807357 1 S S26 1 10.75471643 5.80807357 5.23378643 1 S S27 1 5.80807357 5.23378643 10.75471643 1 S S28 1 0.14460420 2.52238041 2.67462558 1 S S29 1 5.37632580 8.51947959 8.19555558 1 S S30 1 10.89725580 8.04331041 2.84630442 1 S S31 1 2.67462558 0.14460420 2.52238041 1 S S32 1 5.66553420 2.99854959 8.36723442 1 S S33 1 8.19555558 5.37632580 8.51947959 1 S S34 1 2.84630442 10.89725580 8.04331041 1 S S35 1 8.36723442 5.66553420 2.99854959 1 S S36 1 2.52238041 2.67462558 0.14460420 1 S S37 1 8.04331041 2.84630442 10.89725580 1 S S38 1 2.99854959 8.36723442 5.66553420 1 S S39 1 8.51947959 8.19555558 5.37632580 1 S S40 1 0.27212664 2.28620607 7.54011077 1 S S41 1 5.24880336 8.75565393 2.01918077 1 S S42 1 10.76973336 7.80713607 9.02267923 1 S S43 1 7.54011077 0.27212664 2.28620607 1 S S44 1 5.79305664 3.23472393 3.50174923 1 S S45 1 2.01918077 5.24880336 8.75565393 1 S S46 1 9.02267923 10.76973336 7.80713607 1 S S47 1 3.50174923 5.79305664 3.23472393 1 S S48 1 2.28620607 7.54011077 0.27212664 1 S S49 1 7.80713607 9.02267923 10.76973336 1 S S50 1 3.23472393 3.50174923 5.79305664 1 S S51 1 8.75565393 2.01918077 5.24880336 1 [/CIF]
Hg12P8S32
P2_13
198
cubic
23
4,540.276666
true
[CIF] data_Ge2PPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07621561 _cell_length_b 4.07621561 _cell_length_c 4.12365096 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge2PPt _chemical_formula_sum 'Ge2 P1 Pt1' _cell_volume 68.51666149 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 2.03810781 0.00000000 2.06182548 1 Ge Ge1 1 0.00000000 2.03810781 2.06182548 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 2.03810781 2.03810781 0.00000000 1 [/CIF]
Ge2PPt
P4/mmm
123
tetragonal
4/mmm
8,999.575392
false
[CIF] data_B2SbSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40132798 _cell_length_b 4.40132798 _cell_length_c 4.40132798 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B2SbSe _chemical_formula_sum 'B2 Sb1 Se1' _cell_volume 60.28873902 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.55610443 1.55610443 1.55610443 1 B B1 1 4.66831329 4.66831329 4.66831329 1 Sb Sb2 1 3.11220886 3.11220886 3.11220886 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2SbSe
Fm-3m
225
cubic
m-3m
6,124.50752
false
[CIF] data_ScGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39289161 _cell_length_b 3.39289161 _cell_length_c 7.13862480 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.66308092 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScGe _chemical_formula_sum 'Sc2 Ge2' _cell_volume 81.44390025 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 2.23345629 1.27704605 0.70453230 1 Ge Ge1 1 2.23345629 -1.27704605 6.43409250 1 Sc Sc2 1 2.23345629 1.27704605 4.74330565 1 Sc Sc3 1 2.23345629 -1.27704605 2.39531915 1 [/CIF]
Ge2Sc2
Cmme
67
orthorhombic
mmm
4,795.266566
false
[CIF] data_ZnInRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63276871 _cell_length_b 8.63276871 _cell_length_c 8.63276871 _cell_angle_alpha 19.59110127 _cell_angle_beta 19.59110127 _cell_angle_gamma 19.59110127 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnInRu2 _chemical_formula_sum 'Zn1 In1 Ru2' _cell_volume 63.25158780 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 -0.00000000 12.69681700 1 Ru Ru1 1 -0.00000000 -0.00000000 6.43964656 1 Ru Ru2 1 0.00000000 0.00000000 18.95398745 1 Zn Zn3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
InRu2Zn
R-3m
166
trigonal
-3m
10,037.490085
false
[CIF] data_Mg2InBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44079333 _cell_length_b 5.44079333 _cell_length_c 5.44079333 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2InBr _chemical_formula_sum 'Mg2 In1 Br1' _cell_volume 113.88635436 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 3.84722186 3.84722186 3.84722186 1 In In1 1 5.77083279 5.77083279 5.77083279 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Mg Mg3 1 1.92361093 1.92361093 1.92361093 1 [/CIF]
BrInMg2
F-43m
216
cubic
-43m
3,547.942986
false
[CIF] data_YTa2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82478438 _cell_length_b 5.82478438 _cell_length_c 2.97360107 _cell_angle_alpha 99.71628244 _cell_angle_beta 99.71628244 _cell_angle_gamma 123.68322850 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTa2Pd _chemical_formula_sum 'Y1 Ta2 Pd1' _cell_volume 78.39887598 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 2.74877717 -0.00000000 0.00000000 1 Ta Ta1 1 0.84266372 -2.56770020 1.38846840 1 Ta Ta2 1 0.84266372 2.56770019 1.38846840 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PdTa2Y
C2/m
12
monoclinic
2/m
11,802.315283
false
[CIF] data_HfFeMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27831939 _cell_length_b 5.27831939 _cell_length_c 5.27831939 _cell_angle_alpha 144.72069095 _cell_angle_beta 131.29364554 _cell_angle_gamma 61.55828263 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfFeMo2 _chemical_formula_sum 'Hf1 Fe1 Mo2' _cell_volume 63.15033178 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 0.00000000 0.00000000 4.53484832 1 Mo Mo2 1 0.00000000 2.17656816 2.32184606 1 Mo Mo3 1 1.59948661 0.00000000 2.21300226 1 [/CIF]
FeHfMo2
Immm
71
orthorhombic
mmm
11,208.499378
false
[CIF] data_TaTePd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29786069 _cell_length_b 5.29786069 _cell_length_c 5.29786069 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTePd4 _chemical_formula_sum 'Ta1 Te1 Pd4' _cell_volume 105.14451077 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 4.67608846 4.67608846 2.81621798 1 Pd Pd1 1 4.67608846 2.81621798 4.67608846 1 Pd Pd2 1 2.81621798 4.67608846 4.67608846 1 Pd Pd3 1 2.81621798 2.81621798 2.81621798 1 Ta Ta4 1 5.61922983 5.61922983 5.61922983 1 Te Te5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pd4TaTe
F-43m
216
cubic
-43m
11,595.603704
false
[CIF] data_HfBeAlNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28166867 _cell_length_b 4.28166867 _cell_length_c 4.28166867 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBeAlNi _chemical_formula_sum 'Hf1 Be1 Al1 Ni1' _cell_volume 55.50398598 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 3.02759695 3.02759695 3.02759695 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 4.54139543 4.54139543 4.54139543 1 Ni Ni3 1 1.51379847 1.51379848 1.51379847 1 [/CIF]
AlBeHfNi
F-43m
216
cubic
-43m
8,172.769447
false
[CIF] data_AlTc2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00846343 _cell_length_b 4.18508072 _cell_length_c 5.35743141 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.40989961 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTc2Sb _chemical_formula_sum 'Al1 Tc2 Sb1' _cell_volume 67.25391193 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 1.29826178 0.00000000 2.67078532 1 Tc Tc2 1 0.48852850 2.09254036 4.17641490 1 Tc Tc3 1 2.10799507 2.09254036 1.16515573 1 [/CIF]
AlSbTc2
P2/m
10
monoclinic
2/m
8,556.622763
false
[CIF] data_K2MgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93190084 _cell_length_b 2.93190084 _cell_length_c 12.64352802 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2MgW _chemical_formula_sum 'K2 Mg1 W1' _cell_volume 108.68430466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 1.46595042 1.46595042 9.23006347 1 K K1 1 1.46595042 1.46595042 3.41346455 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 6.32176401 1 [/CIF]
K2MgW
P4/mmm
123
tetragonal
4/mmm
4,374.885727
false
[CIF] data_TaTlMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44649096 _cell_length_b 4.44649096 _cell_length_c 3.59393594 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTlMo2 _chemical_formula_sum 'Ta1 Tl1 Mo2' _cell_volume 71.05672032 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 2.22324548 0.00000000 1.79696797 1 Mo Mo1 1 0.00000000 2.22324548 1.79696797 1 Ta Ta2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 2.22324548 2.22324548 0.00000000 1 [/CIF]
Mo2TaTl
P4/mmm
123
tetragonal
4/mmm
13,489.901227
false
[CIF] data_GeBi2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14405366 _cell_length_b 5.14405366 _cell_length_c 3.42037773 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 100.70557935 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeBi2Os _chemical_formula_sum 'Ge1 Bi2 Os1' _cell_volume 88.93228943 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.64110399 -1.98042918 1.71018887 1 Bi Bi1 1 1.64110398 1.98042917 1.71018887 1 Ge Ge2 1 -0.00000000 -0.00000000 0.00000000 1 Os Os3 1 3.28220797 -0.00000000 0.00000000 1 [/CIF]
Bi2GeOs
Cmmm
65
orthorhombic
mmm
12,712.437163
false
[CIF] data_Mn2ZnNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.62812736 _cell_length_b 3.37538799 _cell_length_c 5.28829792 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2ZnNi _chemical_formula_sum 'Mn2 Zn1 Ni1' _cell_volume 46.91222393 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.14447075 1 Mn Mn1 1 1.31406368 1.68769400 1.24202324 1 Ni Ni2 1 0.00000000 0.00000000 2.62761108 1 Zn Zn3 1 1.31406368 1.68769400 3.91834176 1 [/CIF]
Mn2NiZn
Pmm2
25
orthorhombic
mm2
8,281.045646
false
[CIF] data_TcPb2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32031071 _cell_length_b 4.59793600 _cell_length_c 5.34661815 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcPb2W _chemical_formula_sum 'Tc1 Pb2 W1' _cell_volume 81.62455310 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 1.66015536 2.29896800 0.00000000 1 Pb Pb1 1 0.00000000 2.29896800 2.67330908 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.66015536 0.00000000 2.67330908 1 [/CIF]
Pb2TcW
Pmmm
47
orthorhombic
mmm
14,182.478877
false
[CIF] data_NbIn2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57473199 _cell_length_b 4.57473199 _cell_length_c 6.37387113 _cell_angle_alpha 101.65365868 _cell_angle_beta 101.65365868 _cell_angle_gamma 43.26422619 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbIn2P _chemical_formula_sum 'Nb1 In2 P1' _cell_volume 89.23850365 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 8.46327710 0.00000000 0.09283679 1 In In1 1 0.99475320 -0.00000000 4.44801206 1 Nb Nb2 1 3.60440481 0.00000000 2.54233833 1 P P3 1 6.12267356 0.00000000 2.24916359 1 [/CIF]
In2NbP
Cm
8
monoclinic
m
6,578.184757
false
[CIF] data_Y2CuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19708110 _cell_length_b 5.19708110 _cell_length_c 3.20656650 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2CuW _chemical_formula_sum 'Y2 Cu1 W1' _cell_volume 86.60824498 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 2.59854055 2.59854055 0.00000000 1 Y Y2 1 2.59854055 0.00000000 1.60328325 1 Y Y3 1 0.00000000 2.59854055 1.60328325 1 [/CIF]
CuWY2
P4/mmm
123
tetragonal
4/mmm
8,152.337277
false
[CIF] data_BaMo2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78887908 _cell_length_b 4.78887908 _cell_length_c 4.78887908 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMo2Se _chemical_formula_sum 'Ba1 Mo2 Se1' _cell_volume 77.65807393 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 3.38624887 3.38624887 3.38624887 1 Mo Mo1 1 5.07937331 5.07937331 5.07937331 1 Mo Mo2 1 1.69312444 1.69312444 1.69312443 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaMo2Se
Fm-3m
225
cubic
m-3m
8,728.566605
false
[CIF] data_KMn2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80375716 _cell_length_b 2.80375716 _cell_length_c 8.58611345 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMn2Pt _chemical_formula_sum 'K1 Mn2 Pt1' _cell_volume 67.49590336 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 6.37566018 1 Mn Mn1 1 1.40187858 1.40187858 0.78631970 1 Mn Mn2 1 0.00000000 0.00000000 1.93958414 1 Pt Pt3 1 1.40187858 1.40187858 3.77760615 1 [/CIF]
KMn2Pt
P4mm
99
tetragonal
4mm
8,464.593331
false
[CIF] data_CdAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05449181 _cell_length_b 3.05449181 _cell_length_c 4.13848628 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdAg _chemical_formula_sum 'Cd1 Ag1' _cell_volume 38.61174674 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 1.52724590 1.52724590 2.06924314 1 [/CIF]
AgCd
P4/mmm
123
tetragonal
4/mmm
9,473.340318
false
[CIF] data_BaNa2Sr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86188001 _cell_length_b 6.86188001 _cell_length_c 4.31591810 _cell_angle_alpha 92.98789156 _cell_angle_beta 92.98789156 _cell_angle_gamma 100.80896993 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNa2Sr _chemical_formula_sum 'Ba1 Na2 Sr1' _cell_volume 198.94257748 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 4.37351305 -0.00000000 0.00000000 1 Na Na1 1 2.01027420 2.64375589 2.15073040 1 Na Na2 1 2.01027420 -2.64375589 2.15073040 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaNa2Sr
C2/m
12
monoclinic
2/m
2,261.37666
false
[CIF] data_LaMnSnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93606415 _cell_length_b 4.93606415 _cell_length_c 4.93606415 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMnSnRh _chemical_formula_sum 'La1 Mn1 Sn1 Rh1' _cell_volume 85.04080974 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 5.23548664 5.23548664 5.23548664 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 1.74516222 1.74516222 1.74516222 1 Sn Sn3 1 3.49032443 3.49032443 3.49032443 1 [/CIF]
LaMnRhSn
F-43m
216
cubic
-43m
8,112.410113
false
[CIF] data_Tb2PrO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90095960 _cell_length_b 6.90095960 _cell_length_c 6.90095960 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2PrO4 _chemical_formula_sum 'Tb4 Pr2 O8' _cell_volume 232.38787138 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 3.77970054 3.77970054 3.77970054 1 O O1 1 3.77970054 5.97973012 5.97973012 1 O O2 1 5.97973012 3.77970054 5.97973012 1 O O3 1 6.21955821 6.21955821 8.41958779 1 O O4 1 5.97973012 5.97973012 3.77970054 1 O O5 1 6.21955821 8.41958779 6.21955821 1 O O6 1 8.41958779 6.21955821 6.21955821 1 O O7 1 8.41958779 8.41958779 8.41958779 1 Pr Pr8 1 0.00000000 0.00000000 0.00000000 1 Pr Pr9 1 2.43985767 2.43985767 2.43985767 1 Tb Tb10 1 3.65978650 3.65978650 6.09964417 1 Tb Tb11 1 6.09964417 3.65978650 3.65978650 1 Tb Tb12 1 3.65978650 6.09964417 3.65978650 1 Tb Tb13 1 6.09964417 6.09964417 6.09964417 1 [/CIF]
O8Pr2Tb4
Fd-3m
227
cubic
m-3m
7,470.757417
false
[CIF] data_VCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.57732360 _cell_length_b 2.57732360 _cell_length_c 6.51090186 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCu2 _chemical_formula_sum 'V1 Cu2' _cell_volume 37.45498966 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.28866180 0.74400924 4.30780813 1 Cu Cu1 1 0.00000000 1.48801847 2.20309373 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2V
P-3m1
164
trigonal
-3m
7,892.982604
false
[CIF] data_BaHfFeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77205407 _cell_length_b 4.77205407 _cell_length_c 4.77205407 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHfFeMo _chemical_formula_sum 'Ba1 Hf1 Fe1 Mo1' _cell_volume 76.84242616 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 3.37435179 3.37435179 3.37435179 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 5.06152768 5.06152769 5.06152769 1 Mo Mo3 1 1.68717589 1.68717589 1.68717589 1 [/CIF]
BaFeHfMo
F-43m
216
cubic
-43m
10,105.154642
false
[CIF] data_ZrSnO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05367700 _cell_length_b 4.05367700 _cell_length_c 4.05367700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSnO3 _chemical_formula_sum 'Zr1 Sn1 O3' _cell_volume 66.61122530 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 2.02683850 2.02683850 0.00000000 1 O O1 1 0.00000000 2.02683850 2.02683850 1 O O2 1 2.02683850 0.00000000 2.02683850 1 Sn Sn3 1 2.02683850 2.02683850 2.02683850 1 Zr Zr4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
O3SnZr
Pm-3m
221
cubic
m-3m
6,429.944693
false
[CIF] data_TlV3Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97323264 _cell_length_b 4.97323264 _cell_length_c 4.97323264 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlV3Sb _chemical_formula_sum 'Tl1 V3 Sb1' _cell_volume 123.00317619 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 0.00000000 0.00000000 0.00000000 1 Tl Tl1 1 2.48661632 2.48661632 2.48661632 1 V V2 1 0.00000000 2.48661632 0.00000000 1 V V3 1 0.00000000 0.00000000 2.48661632 1 V V4 1 2.48661632 0.00000000 0.00000000 1 [/CIF]
SbTlV3
Pm-3m
221
cubic
m-3m
6,466.050456
false
[CIF] data_CsTcO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03360100 _cell_length_b 4.03360100 _cell_length_c 4.03360100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsTcO3 _chemical_formula_sum 'Cs1 Tc1 O3' _cell_volume 65.62643426 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 2.01680050 2.01680050 2.01680050 1 O O1 1 0.00000000 2.01680050 0.00000000 1 O O2 1 2.01680050 0.00000000 0.00000000 1 O O3 1 0.00000000 0.00000000 2.01680050 1 Tc Tc4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CsO3Tc
Pm-3m
221
cubic
m-3m
7,080.000544
false
[CIF] data_ZrScPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11664842 _cell_length_b 5.11664842 _cell_length_c 5.11664842 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrScPb2 _chemical_formula_sum 'Zr1 Sc1 Pb2' _cell_volume 94.72000930 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 5.42702520 5.42702520 5.42702520 1 Pb Pb1 1 1.80900840 1.80900840 1.80900840 1 Sc Sc2 1 -0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.61801680 3.61801680 3.61801680 1 [/CIF]
Pb2ScZr
Fm-3m
225
cubic
m-3m
9,652.231455
false
[CIF] data_SrZnTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16930332 _cell_length_b 3.16930332 _cell_length_c 7.71304028 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZnTc2 _chemical_formula_sum 'Sr1 Zn1 Tc2' _cell_volume 77.47350614 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 1.58465166 1.58465166 5.84610150 1 Tc Tc1 1 0.00000000 0.00000000 0.53220441 1 Tc Tc2 1 1.58465166 1.58465166 1.81407738 1 Zn Zn3 1 0.00000000 0.00000000 3.37717713 1 [/CIF]
SrTc2Zn
P4mm
99
tetragonal
4mm
7,519.204289
false
[CIF] data_Ba3BMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89728834 _cell_length_b 5.89728834 _cell_length_c 5.89728834 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3BMo _chemical_formula_sum 'Ba3 B1 Mo1' _cell_volume 205.09595148 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 2.94864417 2.94864417 2.94864417 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Ba Ba2 1 0.00000000 2.94864417 0.00000000 1 Ba Ba3 1 0.00000000 0.00000000 2.94864417 1 Ba Ba4 1 2.94864417 0.00000000 0.00000000 1 [/CIF]
BBa3Mo
Pm-3m
221
cubic
m-3m
4,200.024211
false
[CIF] data_HfCrBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42772096 _cell_length_b 3.42772096 _cell_length_c 8.14647461 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCrBr2 _chemical_formula_sum 'Hf1 Cr1 Br2' _cell_volume 95.71513772 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 7.58994339 1 Br Br1 1 1.71386048 1.71386048 2.81571017 1 Cr Cr2 1 0.00000000 0.00000000 4.20340184 1 Hf Hf3 1 1.71386048 1.71386048 5.75713112 1 [/CIF]
Br2CrHf
P4mm
99
tetragonal
4mm
6,771.119135
false
[CIF] data_Ta3Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49418221 _cell_length_b 5.49418221 _cell_length_c 5.49418221 _cell_angle_alpha 141.96416973 _cell_angle_beta 129.18783671 _cell_angle_gamma 65.19758354 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Pb _chemical_formula_sum 'Ta3 Pb1' _cell_volume 78.13492051 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 -0.00000000 0.00000000 4.62864939 1 Ta Ta1 1 1.79035499 -0.00000000 2.19540784 1 Ta Ta2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 -0.00000000 2.35717457 2.43324155 1 [/CIF]
PbTa3
Immm
71
orthorhombic
mmm
15,940.078491
false
[CIF] data_AlOs2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75008789 _cell_length_b 2.75008789 _cell_length_c 7.48803248 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlOs2Rh _chemical_formula_sum 'Al1 Os2 Rh1' _cell_volume 56.63186537 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 1.37504395 1.37504395 1.84601529 1 Os Os2 1 1.37504395 1.37504395 5.64201719 1 Rh Rh3 1 0.00000000 0.00000000 3.74401624 1 [/CIF]
AlOs2Rh
P4/mmm
123
tetragonal
4/mmm
14,964.21122
false
[CIF] data_NdEuB12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86612816 _cell_length_b 5.86612816 _cell_length_c 5.86612816 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdEuB12 _chemical_formula_sum 'Nd1 Eu1 B12' _cell_volume 142.73801165 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nd Nd0 1 0.00000000 0.00000000 0.00000000 1 Eu Eu1 1 4.14797900 4.14797900 4.14797900 1 B B2 1 4.98019632 6.22196850 6.22196850 1 B B3 1 0.83221732 2.07398950 2.07398950 1 B B4 1 6.22196850 6.22196850 7.46374068 1 B B5 1 2.07398950 2.07398950 3.31576168 1 B B6 1 6.22196850 4.98019632 6.22196850 1 B B7 1 2.07398950 0.83221732 2.07398950 1 B B8 1 6.22196850 6.22196850 4.98019632 1 B B9 1 2.07398950 2.07398950 0.83221732 1 B B10 1 6.22196850 7.46374068 6.22196850 1 B B11 1 2.07398950 3.31576168 2.07398950 1 B B12 1 7.46374068 6.22196850 6.22196850 1 B B13 1 3.31576168 2.07398950 2.07398950 1 [/CIF]
B12EuNd
Fm-3m
225
cubic
m-3m
4,955.139004
false
[CIF] data_Sc2GeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82388704 _cell_length_b 4.82388704 _cell_length_c 4.82388704 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2GeSe _chemical_formula_sum 'Sc2 Ge1 Se1' _cell_volume 79.37365725 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Sc Sc1 1 5.11650486 5.11650486 5.11650486 1 Sc Sc2 1 1.70550162 1.70550162 1.70550162 1 Se Se3 1 3.41100324 3.41100324 3.41100324 1 [/CIF]
GeSc2Se
Fm-3m
225
cubic
m-3m
5,052.55563
false
[CIF] data_Be2BSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88526844 _cell_length_b 2.88526844 _cell_length_c 7.69605492 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2BSb _chemical_formula_sum 'Be2 B1 Sb1' _cell_volume 64.06791768 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 7.28606137 1 Be Be1 1 1.44263422 1.44263422 7.17124670 1 Be Be2 1 0.00000000 0.00000000 1.46467300 1 Sb Sb3 1 1.44263422 1.44263422 3.31815623 1 [/CIF]
BBe2Sb
P4mm
99
tetragonal
4mm
3,903.193583
false
[CIF] data_Co2TcGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70995435 _cell_length_b 2.70995435 _cell_length_c 6.73141659 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2TcGe _chemical_formula_sum 'Co2 Tc1 Ge1' _cell_volume 49.43453109 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.35497717 1.35497717 5.14094124 1 Co Co1 1 1.35497717 1.35497717 1.59047535 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 0.00000000 0.00000000 3.36570830 1 [/CIF]
Co2GeTc
P4/mmm
123
tetragonal
4/mmm
9,721.563076
false
[CIF] data_MgSiPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97282667 _cell_length_b 2.97282667 _cell_length_c 7.30723623 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSiPt2 _chemical_formula_sum 'Mg1 Si1 Pt2' _cell_volume 64.57915006 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 5.55800781 1 Pt Pt1 1 1.48641334 1.48641334 7.28855966 1 Pt Pt2 1 0.00000000 0.00000000 2.05301581 1 Si Si3 1 1.48641334 1.48641334 3.36850729 1 [/CIF]
MgPt2Si
P4mm
99
tetragonal
4mm
11,380.173372
false
[CIF] data_BeNiRuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31009822 _cell_length_b 4.31009822 _cell_length_c 4.31009822 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNiRuPb _chemical_formula_sum 'Be1 Ni1 Ru1 Pb1' _cell_volume 56.61695445 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 3.04769968 3.04769968 3.04769968 1 Pb Pb2 1 1.52384984 1.52384984 1.52384984 1 Ru Ru3 1 4.57154952 4.57154952 4.57154952 1 [/CIF]
BeNiPbRu
F-43m
216
cubic
-43m
11,027.123378
false
[CIF] data_ZnAg2SnSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.53739044 _cell_length_b 7.53739044 _cell_length_c 7.53739044 _cell_angle_alpha 133.78269488 _cell_angle_beta 133.78269488 _cell_angle_gamma 67.42761623 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnAg2SnSe4 _chemical_formula_sum 'Zn1 Ag2 Sn1 Se4' _cell_volume 219.47185789 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zn Zn0 1 0.00000000 0.00000000 0.00000000 1 Ag Ag1 1 0.00000000 2.95824500 3.13487750 1 Ag Ag2 1 2.95824500 -0.00000000 3.13487750 1 Sn Sn3 1 0.00000000 0.00000000 6.26975500 1 Se Se4 1 -1.51820092 1.51820092 4.77523350 1 Se Se5 1 1.51820092 -1.51820092 4.77523350 1 Se Se6 1 1.44004408 1.44004408 1.49452150 1 Se Se7 1 1.51820092 1.51820092 7.76427650 1 [/CIF]
Ag2Se4SnZn
I-42m
121
tetragonal
-42m
5,414.780862
false
[CIF] data_La3Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64213328 _cell_length_b 5.06814393 _cell_length_c 7.19622434 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3Sc _chemical_formula_sum 'La3 Sc1' _cell_volume 132.83406649 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 1.82106664 2.53407196 5.49394322 1 La La1 1 1.82106664 2.53407196 1.70228112 1 La La2 1 0.00000000 0.00000000 3.59811217 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La3Sc
Pmmm
47
orthorhombic
mmm
5,771.297581
false
[CIF] data_LiZnCuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26203704 _cell_length_b 4.26203704 _cell_length_c 4.26203704 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZnCuPt _chemical_formula_sum 'Li1 Zn1 Cu1 Pt1' _cell_volume 54.74401679 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.50685764 1.50685764 1.50685764 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 3.01371529 3.01371529 3.01371529 1 Zn Zn3 1 4.52057293 4.52057293 4.52057294 1 [/CIF]
CuLiPtZn
F-43m
216
cubic
-43m
10,038.669007
false
[CIF] data_Fe4O3F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80824300 _cell_length_b 6.21232479 _cell_length_c 10.05267119 _cell_angle_alpha 107.82510975 _cell_angle_beta 92.66082021 _cell_angle_gamma 90.14093559 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe4O3F5 _chemical_formula_sum 'Fe8 O6 F10' _cell_volume 285.51020217 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 1.94175316 1.59847424 7.11818033 1 Fe Fe1 1 2.29770946 4.69565150 2.43830335 1 Fe Fe2 1 2.45135016 1.52437144 2.28409868 1 Fe Fe3 1 1.98323028 -1.55621427 7.07259662 1 Fe Fe4 1 0.08529971 3.03541730 0.23886287 1 Fe Fe5 1 -0.17099836 3.09809852 4.83103254 1 Fe Fe6 1 4.13220933 -3.01351082 9.46894842 1 Fe Fe7 1 4.57170379 0.03837559 4.74625964 1 O O8 1 3.84285251 1.55248938 0.88167066 1 O O9 1 3.23816727 0.07523242 3.32287018 1 O O10 1 2.88250508 3.12187571 8.06019278 1 O O11 1 1.44189140 3.06495979 1.51748174 1 O O12 1 1.16193864 3.12573003 6.26563393 1 O O13 1 1.11699027 0.02458287 6.24486367 1 F F14 1 3.56997478 1.50312951 5.75986404 1 F F15 1 3.55774132 -1.46395295 5.72305488 1 F F16 1 3.88436664 4.65876519 0.90792741 1 F F17 1 2.93973531 0.03740698 8.15442843 1 F F18 1 3.22620665 3.02396254 3.36890314 1 F F19 1 1.34226170 0.06960856 1.31707207 1 F F20 1 0.69857264 4.73445836 3.86949241 1 F F21 1 0.47708439 -1.50343712 8.61038027 1 F F22 1 0.80920898 1.49944311 3.80836684 1 F F23 1 0.44127609 1.55571984 8.68958066 1 [/CIF]
F10Fe8O6
P1
1
triclinic
1
4,261.648459
false
[CIF] data_CaMg2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62545596 _cell_length_b 6.62545596 _cell_length_c 3.27673928 _cell_angle_alpha 103.65465455 _cell_angle_beta 103.65465455 _cell_angle_gamma 121.77468183 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg2Sn _chemical_formula_sum 'Ca1 Mg2 Sn1' _cell_volume 106.92149905 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Mg Mg1 1 0.81678061 2.89421366 1.43258525 1 Mg Mg2 1 0.81678061 -2.89421366 1.43258525 1 Sn Sn3 1 3.22347264 -0.00000000 0.00000000 1 [/CIF]
CaMg2Sn
C2/m
12
monoclinic
2/m
3,220.984408
false
[CIF] data_Ca2TiV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15752608 _cell_length_b 6.15752608 _cell_length_c 3.14663243 _cell_angle_alpha 98.59269073 _cell_angle_beta 98.59269073 _cell_angle_gamma 118.32286477 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2TiV _chemical_formula_sum 'Ca2 Ti1 V1' _cell_volume 100.46292904 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 1.11967750 -2.64347222 1.50500691 1 Ca Ca1 1 1.11967750 2.64347222 1.50500691 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 3.15647682 -0.00000000 0.00000000 1 [/CIF]
Ca2TiV
C2/m
12
monoclinic
2/m
2,958.081619
false
[CIF] data_AlTlCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02596793 _cell_length_b 7.02596793 _cell_length_c 7.02596793 _cell_angle_alpha 152.81165179 _cell_angle_beta 152.81165179 _cell_angle_gamma 38.82919097 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTlCd _chemical_formula_sum 'Al1 Tl1 Cd1' _cell_volume 72.28520458 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 -0.00000000 0.00000000 13.12450273 1 Cd Cd1 1 -0.00000000 0.00000000 4.62708333 1 Tl Tl2 1 0.00000000 0.00000000 8.75424366 1 [/CIF]
AlCdTl
I4mm
107
tetragonal
4mm
7,897.234482
false
[CIF] data_HgAsW3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63371481 _cell_length_b 4.63371481 _cell_length_c 4.63371481 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgAsW3 _chemical_formula_sum 'Hg1 As1 W3' _cell_volume 99.49194076 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 2.31685740 2.31685740 2.31685740 1 W W2 1 0.00000000 2.31685740 0.00000000 1 W W3 1 0.00000000 0.00000000 2.31685740 1 W W4 1 2.31685740 0.00000000 0.00000000 1 [/CIF]
AsHgW3
Pm-3m
221
cubic
m-3m
13,803.311812
false
[CIF] data_TlTcMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00867283 _cell_length_b 5.00867283 _cell_length_c 5.00867283 _cell_angle_alpha 132.29936644 _cell_angle_beta 132.29936644 _cell_angle_gamma 69.75661912 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlTcMo2 _chemical_formula_sum 'Tl1 Tc1 Mo2' _cell_volume 67.41381665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 2.02525011 -0.00000000 2.05447850 1 Tc Tc2 1 0.00000000 0.00000000 4.10895699 1 Tl Tl3 1 -0.00000000 2.02525011 2.05447850 1 [/CIF]
Mo2TcTl
I-4m2
119
tetragonal
-42m
12,198.014616
false
[CIF] data_Bi2PtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55500988 _cell_length_b 3.55500988 _cell_length_c 7.60872101 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2PtAu _chemical_formula_sum 'Bi2 Pt1 Au1' _cell_volume 96.15974083 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.77750494 1.77750494 5.46596593 1 Bi Bi1 1 0.00000000 0.00000000 7.12302728 1 Bi Bi2 1 1.77750494 1.77750494 2.46478423 1 Pt Pt3 1 0.00000000 0.00000000 3.96802508 1 [/CIF]
AuBi2Pt
P4mm
99
tetragonal
4mm
13,987.719923
false
[CIF] data_Ti2HgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17719571 _cell_length_b 5.17719571 _cell_length_c 5.17719571 _cell_angle_alpha 134.63148935 _cell_angle_beta 134.63148935 _cell_angle_gamma 66.10332421 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2HgW _chemical_formula_sum 'Ti2 Hg1 W1' _cell_volume 69.19471574 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 -0.00000000 1.99659856 2.16970872 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 1.99659856 0.00000000 2.16970872 1 W W3 1 -0.00000000 0.00000000 4.33941745 1 [/CIF]
HgTi2W
I-4m2
119
tetragonal
-42m
11,523.005361
false
[CIF] data_LiLaNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73181577 _cell_length_b 4.73181577 _cell_length_c 4.73181577 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaNb _chemical_formula_sum 'Li1 La1 Nb1' _cell_volume 74.91494808 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 1.67294951 1.67294951 1.67294951 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 3.34589901 3.34589901 3.34589901 1 [/CIF]
La4Li4Nb4
F-43m
216
cubic
-43m
5,292.113855
false
[CIF] data_Cd2HgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08058179 _cell_length_b 4.69522942 _cell_length_c 5.56817007 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.13714505 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2HgPt _chemical_formula_sum 'Cd2 Hg1 Pt1' _cell_volume 79.72737444 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 2.20060781 2.34761471 5.19081519 1 Cd Cd1 1 2.22399825 0.00000000 1.60530963 1 Hg Hg2 1 0.64951835 2.34761471 2.60613557 1 Pt Pt3 1 0.65699077 0.00000000 4.37801538 1 [/CIF]
Cd2HgPt
Pm
6
monoclinic
m
12,923.514112
false
[CIF] data_Ag2P2H2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.37541370 _cell_length_b 14.50367475 _cell_length_c 7.18572831 _cell_angle_alpha 82.94859329 _cell_angle_beta 69.41771893 _cell_angle_gamma 27.63368778 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2P2H2O7 _chemical_formula_sum 'Ag8 P8 H8 O28' _cell_volume 626.65514952 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.50771144 7.56786285 15.44639577 1 Ag Ag1 1 4.64601856 4.89660315 15.44639577 1 Ag Ag2 1 4.64601856 7.56786285 12.66499823 1 Ag Ag3 1 2.50771144 4.89660315 12.66499823 1 Ag Ag4 1 6.43445106 8.01271965 19.69284673 1 Ag Ag5 1 4.29614394 10.68397935 19.69284673 1 Ag Ag6 1 4.29614394 8.01271965 22.47424427 1 Ag Ag7 1 6.43445106 10.68397935 22.47424427 1 P P8 1 4.70421058 10.66824297 16.08618299 1 P P9 1 6.02638442 8.02845603 16.08618299 1 P P10 1 6.02638442 10.66824297 26.08090801 1 P P11 1 4.70421058 8.02845603 26.08090801 1 P P12 1 4.23795192 4.91233953 19.05305951 1 P P13 1 2.91577808 7.55212647 19.05305951 1 P P14 1 2.91577808 4.91233953 9.05833449 1 P P15 1 4.23795192 7.55212647 9.05833449 1 H H16 1 1.78843250 3.11611650 3.83624949 1 H H17 1 1.78843250 3.11611650 10.21944751 1 H H18 1 3.57686500 6.23223300 3.19159901 1 H H19 1 3.57686500 6.23223300 24.91979499 1 H H20 1 1.78843250 5.32943173 7.02784850 1 H H21 1 1.78843250 0.90280127 7.02784850 1 H H22 1 3.57686500 10.25115077 14.05569700 1 H H23 1 3.57686500 2.21331523 14.05569700 1 O O24 1 5.36529750 9.34834950 16.76408925 1 O O25 1 5.36529750 9.34834950 25.40300175 1 O O26 1 3.57686500 6.23223300 18.37515325 1 O O27 1 3.57686500 6.23223300 9.73624075 1 O O28 1 2.46808335 8.35033217 17.81428877 1 O O29 1 4.68564665 4.11413383 17.81428877 1 O O30 1 4.68564665 8.35033217 10.29710523 1 O O31 1 2.46808335 4.11413383 10.29710523 1 O O32 1 6.47407915 7.23025033 17.32495373 1 O O33 1 4.25651585 11.46644867 17.32495373 1 O O34 1 4.25651585 7.23025033 24.84213727 1 O O35 1 6.47407915 11.46644867 24.84213727 1 O O36 1 3.68959705 10.21724742 12.85633843 1 O O37 1 3.46413295 2.24721858 12.85633843 1 O O38 1 3.46413295 10.21724742 15.25505557 1 O O39 1 3.68959705 2.24721858 15.25505557 1 O O40 1 1.67570045 5.36333508 8.22720707 1 O O41 1 1.90116455 0.86889792 8.22720707 1 O O42 1 1.90116455 5.36333508 5.82848993 1 O O43 1 1.67570045 0.86889792 5.82848993 1 O O44 1 3.19305308 8.23259906 8.18473075 1 O O45 1 3.96067692 4.23186694 8.18473075 1 O O46 1 3.96067692 8.23259906 19.92666325 1 O O47 1 3.19305308 4.23186694 19.92666325 1 O O48 1 2.17224442 7.34798344 12.89881475 1 O O49 1 4.98148558 5.11648256 12.89881475 1 O O50 1 4.98148558 7.34798344 15.21257925 1 O O51 1 2.17224442 5.11648256 15.21257925 1 [/CIF]
Ag8H8O28P8
Fddd
70
orthorhombic
mmm
4,151.730681
true
[CIF] data_Er(SiAu)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93351101 _cell_length_b 5.93351101 _cell_length_c 5.93351101 _cell_angle_alpha 137.99971402 _cell_angle_beta 137.99971402 _cell_angle_gamma 60.90343657 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er(SiAu)2 _chemical_formula_sum 'Er1 Si2 Au2' _cell_volume 92.51134043 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.12639400 -0.00000000 2.55751100 1 Au Au1 1 -0.00000000 2.12639400 2.55751100 1 Er Er2 1 0.00000000 0.00000000 0.00000000 1 Si Si3 1 -0.00000000 0.00000000 6.25692197 1 Si Si4 1 -0.00000000 0.00000000 3.97312203 1 [/CIF]
Au2ErSi2
I4/mmm
139
tetragonal
4/mmm
11,081.404769
false
[CIF] data_KMoPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45182293 _cell_length_b 3.45182293 _cell_length_c 9.16316228 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMoPb2 _chemical_formula_sum 'K1 Mo1 Pb2' _cell_volume 109.17982573 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 0.00000000 0.00000000 4.58158114 1 Pb Pb2 1 1.72591147 1.72591147 6.34538569 1 Pb Pb3 1 1.72591147 1.72591147 2.81777659 1 [/CIF]
KMoPb2
P4/mmm
123
tetragonal
4/mmm
8,356.827523
false
[CIF] data_SnPdRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01602992 _cell_length_b 4.57352888 _cell_length_c 4.65535980 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnPdRh2 _chemical_formula_sum 'Sn1 Pd1 Rh2' _cell_volume 64.21556728 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 1.50801496 2.28676444 0.00000000 1 Rh Rh1 1 1.50801496 0.00000000 2.32767990 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 0.00000000 2.28676444 2.32767990 1 [/CIF]
PdRh2Sn
Pmmm
47
orthorhombic
mmm
11,143.62757
false
[CIF] data_ZrAl2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99908631 _cell_length_b 4.99908631 _cell_length_c 5.01735004 _cell_angle_alpha 99.21334525 _cell_angle_beta 99.21334525 _cell_angle_gamma 32.91513538 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAl2Re _chemical_formula_sum 'Zr1 Al2 Re1' _cell_volume 67.17905084 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 8.68427608 0.00000000 4.87902665 1 Al Al1 1 1.74850538 -0.00000000 3.69790592 1 Re Re2 1 4.47438546 -0.00000000 2.56894269 1 Zr Zr3 1 6.97006633 0.00000000 1.22145574 1 [/CIF]
Al2ReZr
Cm
8
monoclinic
m
8,191.434751
false
[CIF] data_SrLa2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08390458 _cell_length_b 5.08390458 _cell_length_c 5.11471164 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLa2Zn _chemical_formula_sum 'Sr1 La2 Zn1' _cell_volume 132.19527578 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 2.54195229 2.55735582 1 La La1 1 2.54195229 0.00000000 2.55735582 1 Sr Sr2 1 2.54195229 2.54195229 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2SrZn
P4/mmm
123
tetragonal
4/mmm
5,411.527696
false
[CIF] data_TaRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85035703 _cell_length_b 2.85035703 _cell_length_c 6.70577529 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaRh2 _chemical_formula_sum 'Ta1 Rh2' _cell_volume 47.18219636 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 -0.00000000 1.64565440 2.08095959 1 Rh Rh1 1 1.42517852 0.82282720 4.62481570 1 Ta Ta2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Rh2Ta
P-3m1
164
trigonal
-3m
13,611.664531
false
[CIF] data_RbYSeCl2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67567800 _cell_length_b 7.09784334 _cell_length_c 8.95885038 _cell_angle_alpha 81.39526214 _cell_angle_beta 74.71117978 _cell_angle_gamma 88.92625932 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbYSeCl2O3 _chemical_formula_sum 'Rb2 Y2 Se2 Cl4 O6' _cell_volume 404.76855222 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rb Rb0 1 3.26068286 2.81091318 5.25279139 1 Rb Rb1 1 5.91031614 5.58204082 3.29120861 1 Y Y2 1 2.53986525 5.32634947 0.16065283 1 Y Y3 1 6.63113375 3.06660453 8.38334717 1 Se Se4 1 1.12716811 1.81290906 0.74796739 1 Se Se5 1 8.04383089 6.58004494 7.79603261 1 Cl Cl6 1 2.58823606 5.22469553 2.83688995 1 Cl Cl7 1 6.58276294 3.16825847 5.70711005 1 Cl Cl8 1 4.76916837 1.74155533 2.45245267 1 Cl Cl9 1 4.40183063 6.65139867 6.09154733 1 O O10 1 2.22492356 3.01988052 0.13508918 1 O O11 1 6.94607544 5.37307348 8.40891082 1 O O12 1 2.19047477 0.53425954 0.23348189 1 O O13 1 6.98052423 7.85869446 8.31051811 1 O O14 1 0.23710147 5.32954002 0.43275360 1 O O15 1 8.93389753 3.06341398 8.11124640 1 [/CIF]
Cl4O6Rb2Se2Y2
P-1
2
triclinic
-1
3,054.167566
false
[CIF] data_LiZrRePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51523246 _cell_length_b 4.51523246 _cell_length_c 4.51523246 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZrRePt _chemical_formula_sum 'Li1 Zr1 Re1 Pt1' _cell_volume 65.09165957 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 1.59637575 1.59637575 1.59637574 1 Re Re2 1 4.78912724 4.78912724 4.78912724 1 Zr Zr3 1 3.19275149 3.19275149 3.19275149 1 [/CIF]
LiPtReZr
F-43m
216
cubic
-43m
12,231.296974
false
[CIF] data_YZnPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59026274 _cell_length_b 4.69130693 _cell_length_c 6.45160111 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.90487568 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZnPb2 _chemical_formula_sum 'Y1 Zn1 Pb2' _cell_volume 107.63191976 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 2.17667299 2.34565347 6.29623706 1 Pb Pb1 1 1.54260401 0.00000000 1.72638812 1 Y Y2 1 -0.21166615 2.34565347 3.31417460 1 Zn Zn3 1 1.45471167 0.00000000 4.63894140 1 [/CIF]
Pb2YZn
Pm
6
monoclinic
m
8,773.65258
false
[CIF] data_NaZrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68197443 _cell_length_b 4.68197443 _cell_length_c 4.68197443 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrW _chemical_formula_sum 'Na1 Zr1 W1' _cell_volume 72.57250521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 3.31065587 3.31065587 3.31065587 1 Zr Zr2 1 4.96598381 4.96598381 4.96598381 1 [/CIF]
NaWZr
F-43m
216
cubic
-43m
6,819.799405
false
[CIF] data_YCuCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62306740 _cell_length_b 4.62306740 _cell_length_c 3.61657085 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCuCl _chemical_formula_sum 'Y1 Cu1 Cl1' _cell_volume 66.94036238 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 3.07406388 1 Cu Cu1 1 -0.00000000 2.66912921 1.17297519 1 Y Y2 1 2.31153370 1.33456460 2.98610262 1 [/CIF]
ClCuY
P3m1
156
trigonal
3m
4,661.213848
false
[CIF] data_CdReBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72665170 _cell_length_b 4.72665170 _cell_length_c 2.95150308 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdReBr _chemical_formula_sum 'Cd1 Re1 Br1' _cell_volume 57.10591241 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 2.48482165 1 Cd Cd1 1 -0.00000000 2.72893363 0.95555529 1 Re Re2 1 2.36332585 1.36446682 2.46262921 1 [/CIF]
BrCdRe
P3m1
156
trigonal
3m
11,006.75118
false
[CIF] data_ScCoRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.23054047 _cell_length_b 9.23054047 _cell_length_c 9.23054047 _cell_angle_alpha 17.28225962 _cell_angle_beta 17.28225962 _cell_angle_gamma 17.28225962 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCoRe2 _chemical_formula_sum 'Sc1 Co1 Re2' _cell_volume 60.56705548 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 -0.00000000 13.63585241 1 Re Re1 1 0.00000000 -0.00000000 6.58800882 1 Re Re2 1 -0.00000000 -0.00000000 20.68369599 1 Sc Sc3 1 0.00000000 -0.00000000 -0.00000000 1 [/CIF]
CoRe2Sc
R-3m
166
trigonal
-3m
13,058.582923
false
[CIF] data_Cd2NiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79052068 _cell_length_b 4.79052068 _cell_length_c 4.79052068 _cell_angle_alpha 134.65246169 _cell_angle_beta 128.15192324 _cell_angle_gamma 71.30359985 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2NiB _chemical_formula_sum 'Cd2 Ni1 B1' _cell_volume 60.21941901 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 0.00000000 2.09431580 2.13006250 1 Cd Cd2 1 1.84666740 0.00000000 1.76259074 1 Ni Ni3 1 0.00000000 0.00000000 3.89265324 1 [/CIF]
BCd2Ni
Immm
71
orthorhombic
mmm
8,115.9947
false
[CIF] data_YCdCoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69549991 _cell_length_b 4.69549991 _cell_length_c 4.69549991 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCdCoOs _chemical_formula_sum 'Y1 Cd1 Co1 Os1' _cell_volume 73.20327529 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.66010991 1.66010991 1.66010991 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 4.98032975 4.98032975 4.98032975 1 Y Y3 1 3.32021983 3.32021983 3.32021983 1 [/CIF]
CdCoOsY
F-43m
216
cubic
-43m
10,218.664541
false
[CIF] data_KAl2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39470852 _cell_length_b 4.39470852 _cell_length_c 7.20865670 _cell_angle_alpha 97.57464480 _cell_angle_beta 97.57464480 _cell_angle_gamma 42.51892276 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAl2Ir _chemical_formula_sum 'K1 Al2 Ir1' _cell_volume 93.14638088 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.16482548 -0.00000000 4.57576198 1 Al Al1 1 6.00683855 -0.00000000 2.56042155 1 Ir Ir2 1 3.58583202 -0.00000000 3.56809176 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2IrK
C2/m
12
monoclinic
2/m
5,085.714396
false
[CIF] data_Mg5Al2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.91190176 _cell_length_b 10.91190176 _cell_length_c 10.91190176 _cell_angle_alpha 164.05763139 _cell_angle_beta 157.38013505 _cell_angle_gamma 27.79577250 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Al2 _chemical_formula_sum 'Mg5 Al2' _cell_volume 137.20481600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 -0.00000000 -0.00000000 12.10566809 1 Al Al1 1 -0.00000000 -0.00000000 9.07925107 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Mg Mg3 1 0.00000000 0.00000000 18.15850214 1 Mg Mg4 1 -0.00000000 0.00000000 6.05283405 1 Mg Mg5 1 -0.00000000 -0.00000000 15.13208512 1 Mg Mg6 1 -0.00000000 0.00000000 3.02641702 1 [/CIF]
Al2Mg5
Immm
71
orthorhombic
mmm
2,123.867197
false
[CIF] data_YAlRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57539443 _cell_length_b 4.57539443 _cell_length_c 4.57539443 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAlRh2 _chemical_formula_sum 'Y1 Al1 Rh2' _cell_volume 67.72836918 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 1.61764621 1.61764621 1.61764621 1 Rh Rh2 1 4.85293864 4.85293864 4.85293864 1 Y Y3 1 3.23529243 3.23529243 3.23529243 1 [/CIF]
AlRh2Y
Fm-3m
225
cubic
m-3m
7,887.325728
false
[CIF] data_Ta2CoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19216587 _cell_length_b 3.19216587 _cell_length_c 6.04944393 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2CoOs _chemical_formula_sum 'Ta2 Co1 Os1' _cell_volume 61.64336729 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 2.89772345 1 Os Os1 1 1.59608293 1.59608293 4.54815688 1 Ta Ta2 1 0.00000000 0.00000000 5.95217510 1 Ta Ta3 1 1.59608293 1.59608293 1.72555440 1 [/CIF]
CoOsTa2
P4mm
99
tetragonal
4mm
16,460.663332
false
[CIF] data_MgCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09289081 _cell_length_b 6.09289081 _cell_length_c 7.43146005 _cell_angle_alpha 106.99689334 _cell_angle_beta 106.99689334 _cell_angle_gamma 30.36573249 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCd2 _chemical_formula_sum 'Mg2 Cd4' _cell_volume 132.91120600 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.82940011 0.00000000 4.52534730 1 Mg Mg1 1 8.68010263 0.00000000 2.55701825 1 Cd Cd2 1 7.92452302 0.00000000 6.89902838 1 Cd Cd3 1 3.95558159 -0.00000000 4.88372689 1 Cd Cd4 1 5.55392114 -0.00000000 2.19863865 1 Cd Cd5 1 1.58497972 -0.00000000 0.18333716 1 [/CIF]
Cd8Mg4
C2/m
12
monoclinic
2/m
6,224.984762
false
[CIF] data_Ni4HgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78102331 _cell_length_b 4.78102331 _cell_length_c 4.78102331 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni4HgRh _chemical_formula_sum 'Ni4 Hg1 Rh1' _cell_volume 77.27652497 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.69034700 1.69034700 1.69034700 1 Ni Ni1 1 2.53026174 2.53026174 4.23112626 1 Ni Ni2 1 2.53026174 4.23112626 2.53026174 1 Ni Ni3 1 4.23112626 2.53026174 2.53026174 1 Ni Ni4 1 4.23112626 4.23112626 4.23112626 1 Rh Rh5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgNi4Rh
F-43m
216
cubic
-43m
11,566.473379
false
[CIF] data_BeAg2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33697666 _cell_length_b 3.35606432 _cell_length_c 7.01780169 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.93071866 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAg2Bi _chemical_formula_sum 'Be1 Ag2 Bi1' _cell_volume 76.89537530 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 -0.05795595 0.00000000 0.37100173 1 Ag Ag1 1 1.54494749 1.67803216 2.12396623 1 Be Be2 1 -0.14787483 0.00000000 2.82789789 1 Bi Bi3 1 -0.17831237 1.67803216 4.97644191 1 [/CIF]
Ag2BeBi
Pm
6
monoclinic
m
9,366.283943
false
[CIF] data_BeTlIrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44470320 _cell_length_b 4.44470320 _cell_length_c 4.44470320 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTlIrRu _chemical_formula_sum 'Be1 Tl1 Ir1 Ru1' _cell_volume 62.08880457 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 3.14287977 3.14287977 3.14287977 1 Ru Ru2 1 4.71431966 4.71431966 4.71431966 1 Tl Tl3 1 1.57143989 1.57143989 1.57143989 1 [/CIF]
BeIrRuTl
F-43m
216
cubic
-43m
13,551.01071
false
[CIF] data_FeMoPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09513517 _cell_length_b 3.09513517 _cell_length_c 9.20810552 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeMoPb2 _chemical_formula_sum 'Fe1 Mo1 Pb2' _cell_volume 88.21237759 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 5.08918723 1 Mo Mo1 1 1.54756758 1.54756758 6.29839408 1 Pb Pb2 1 0.00000000 0.00000000 8.60855122 1 Pb Pb3 1 1.54756758 1.54756758 3.02413126 1 [/CIF]
FeMoPb2
P4mm
99
tetragonal
4mm
10,658.4308
false
[CIF] data_Sc2BeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.40971412 _cell_length_b 7.40971412 _cell_length_c 7.40971412 _cell_angle_alpha 28.28192767 _cell_angle_beta 28.28192767 _cell_angle_gamma 28.28192767 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2BeBr _chemical_formula_sum 'Sc2 Be1 Br1' _cell_volume 80.69826091 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Br Br1 1 -0.00000000 0.00000000 10.66314314 1 Sc Sc2 1 -0.00000000 0.00000000 15.69727450 1 Sc Sc3 1 -0.00000000 0.00000000 5.62901177 1 [/CIF]
BeBrSc2
R-3m
166
trigonal
-3m
3,684.345265
false
[CIF] data_Ti2SnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34271330 _cell_length_b 5.34271330 _cell_length_c 5.34271330 _cell_angle_alpha 136.57558674 _cell_angle_beta 136.57558674 _cell_angle_gamma 63.09171330 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2SnGe _chemical_formula_sum 'Ti2 Sn1 Ge1' _cell_volume 71.14949221 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 4.55317626 1 Sn Sn1 1 0.00000000 1.97650845 2.27658813 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 1.97650845 0.00000000 2.27658813 1 [/CIF]
GeSnTi2
I-4m2
119
tetragonal
-42m
6,700.177086
false
[CIF] data_TiV2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49139498 _cell_length_b 4.49139498 _cell_length_c 4.49139498 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiV2Sn _chemical_formula_sum 'Ti1 V2 Sn1' _cell_volume 64.06616841 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sn Sn0 1 4.76384377 4.76384378 4.76384378 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.58794792 1.58794792 1.58794792 1 V V3 1 3.17589585 3.17589585 3.17589585 1 [/CIF]
SnTiV2
F-43m
216
cubic
-43m
6,958.248463
false
[CIF] data_VNi2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76204248 _cell_length_b 2.76204248 _cell_length_c 7.36892991 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.28393488 _symmetry_Int_Tables_number 1 _chemical_formula_structural VNi2Hg _chemical_formula_sum 'V1 Ni2 Hg1' _cell_volume 56.20255786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 3.68446495 1 Ni Ni1 1 1.93105389 0.00000000 5.75773350 1 Ni Ni2 1 1.93105389 0.00000000 1.61119641 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgNi2V
Cmmm
65
orthorhombic
mmm
10,899.917599
false
[CIF] data_ReSiCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50040433 _cell_length_b 5.50040433 _cell_length_c 5.50040433 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSiCl4 _chemical_formula_sum 'Re1 Si1 Cl4' _cell_volume 117.67083837 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 4.85588457 4.85588457 2.92286183 1 Cl Cl1 1 4.85588457 2.92286183 4.85588457 1 Cl Cl2 1 2.92286183 4.85588457 4.85588457 1 Cl Cl3 1 2.92286183 2.92286183 2.92286183 1 Re Re4 1 5.83405980 5.83405980 5.83405980 1 Si Si5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl4ReSi
F-43m
216
cubic
-43m
5,025.250455
false
[CIF] data_Ba2LiRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39412212 _cell_length_b 4.02841453 _cell_length_c 9.46524882 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.62848502 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2LiRe _chemical_formula_sum 'Ba2 Li1 Re1' _cell_volume 129.40990699 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.58628329 2.01420727 6.70822572 1 Ba Ba1 1 1.70401534 2.01420727 2.75645366 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 -0.05191174 0.00000000 4.73233969 1 [/CIF]
Ba2LiRe
P2/m
10
monoclinic
2/m
6,002.658641
false
[CIF] data_TiNbTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10034543 _cell_length_b 5.10034543 _cell_length_c 5.10034543 _cell_angle_alpha 139.21795954 _cell_angle_beta 139.21795954 _cell_angle_gamma 59.04266345 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNbTe _chemical_formula_sum 'Ti1 Nb1 Te1' _cell_volume 56.06386038 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 -0.00000000 0.03465863 1 Te Te1 1 0.00000000 -0.00000000 2.96512843 1 Ti Ti2 1 0.00000000 -0.00000000 5.87657158 1 [/CIF]
NbTeTi
I4mm
107
tetragonal
4mm
7,948.87257
false
[CIF] data_SnIr2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72713781 _cell_length_b 4.72713781 _cell_length_c 4.72713781 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnIr2Pb _chemical_formula_sum 'Sn1 Ir2 Pb1' _cell_volume 74.69298093 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 5.01388680 5.01388680 5.01388680 1 Ir Ir1 1 1.67129560 1.67129560 1.67129560 1 Pb Pb2 1 3.34259120 3.34259120 3.34259120 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir2PbSn
Fm-3m
225
cubic
m-3m
15,792.032236
false
[CIF] data_AlReBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14836835 _cell_length_b 3.14836835 _cell_length_c 8.58997020 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlReBr2 _chemical_formula_sum 'Al1 Re1 Br2' _cell_volume 85.14570248 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Br Br1 1 1.57418418 1.57418418 2.69243072 1 Br Br2 1 1.57418418 1.57418418 5.89753948 1 Re Re3 1 0.00000000 0.00000000 4.29498510 1 [/CIF]
AlBr2Re
P4/mmm
123
tetragonal
4/mmm
7,274.299301
false
[CIF] data_NbCd2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58799205 _cell_length_b 4.58799205 _cell_length_c 4.58799205 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCd2Fe _chemical_formula_sum 'Nb1 Cd2 Fe1' _cell_volume 68.28934890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 4.86630044 4.86630044 4.86630044 1 Cd Cd1 1 1.62210015 1.62210015 1.62210015 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 3.24420029 3.24420029 3.24420029 1 [/CIF]
Cd2FeNb
Fm-3m
225
cubic
m-3m
9,083.89378
false
[CIF] data_MnSi2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08811615 _cell_length_b 4.08811615 _cell_length_c 2.92094748 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSi2Tc _chemical_formula_sum 'Mn1 Si2 Tc1' _cell_volume 48.81690042 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Si Si1 1 0.00000000 2.04405808 1.46047374 1 Si Si2 1 2.04405808 0.00000000 1.46047374 1 Tc Tc3 1 2.04405808 2.04405808 0.00000000 1 [/CIF]
MnSi2Tc
P4/mmm
123
tetragonal
4/mmm
7,143.807081
false
[CIF] data_Mn2CrNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.44373841 _cell_length_b 2.44373841 _cell_length_c 7.51731590 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CrNi _chemical_formula_sum 'Mn2 Cr1 Ni1' _cell_volume 44.89233871 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 1.22186920 1.22186920 1.91417737 1 Mn Mn2 1 1.22186920 1.22186920 5.60313853 1 Ni Ni3 1 0.00000000 0.00000000 3.75865795 1 [/CIF]
CrMn2Ni
P4/mmm
123
tetragonal
4/mmm
8,158.58094
false
[CIF] data_YbCr2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59151703 _cell_length_b 4.59151703 _cell_length_c 4.59151703 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbCr2Te _chemical_formula_sum 'Yb1 Cr2 Te1' _cell_volume 68.44687105 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 1.62334641 1.62334641 1.62334641 1 Cr Cr1 1 4.87003924 4.87003924 4.87003924 1 Te Te2 1 0.00000000 0.00000000 0.00000000 1 Yb Yb3 1 3.24669283 3.24669283 3.24669283 1 [/CIF]
Cr2TeYb
Fm-3m
225
cubic
m-3m
9,816.823076
false
[CIF] data_ReRh7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08972765 _cell_length_b 6.08972765 _cell_length_c 3.85222940 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 127.09325513 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReRh7 _chemical_formula_sum 'Re1 Rh7' _cell_volume 113.95225862 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 2.71278710 0.00000000 0.00000000 1 Rh Rh1 1 4.04550616 -1.33919519 1.92611470 1 Rh Rh2 1 2.71278710 2.66369719 0.00000000 1 Rh Rh3 1 4.04550616 1.33919519 1.92611470 1 Rh Rh4 1 0.00000000 0.00000000 0.00000000 1 Rh Rh5 1 1.38006804 -1.33919519 1.92611470 1 Rh Rh6 1 2.71278710 -2.66369719 0.00000000 1 Rh Rh7 1 1.38006804 1.33919519 1.92611470 1 [/CIF]
ReRh7
Cmmm
65
orthorhombic
mmm
13,210.403965
false