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_TaAgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53163862 _cell_length_b 4.53163862 _cell_length_c 4.53163862 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAgSe _chemical_formula_sum 'Ta1 Ag1 Se1' _cell_volume 65.80377533 _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 4.80652860 4.80652860 4.80652860 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 3.20435240 3.20435240 3.20435240 1 [/CIF]
AgSeTa
F-43m
216
cubic
-43m
9,280.722048
false
[CIF] data_YInNiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86111474 _cell_length_b 4.86111474 _cell_length_c 4.86111474 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YInNiHg _chemical_formula_sum 'Y1 In1 Ni1 Hg1' _cell_volume 81.22554205 _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 Y Y0 1 1.71866360 1.71866360 1.71866360 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 5.15599079 5.15599079 5.15599079 1 Hg Hg3 1 3.43732720 3.43732720 3.43732720 1 [/CIF]
HgInNiY
F-43m
216
cubic
-43m
9,465.515493
false
[CIF] data_Ba2VGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.80305504 _cell_length_b 10.80305504 _cell_length_c 10.80305504 _cell_angle_alpha 19.69571032 _cell_angle_beta 19.69571032 _cell_angle_gamma 19.69571032 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2VGa _chemical_formula_sum 'Ba2 V1 Ga1' _cell_volume 125.24161078 _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 -0.00000000 0.00000000 7.99352169 1 Ba Ba1 1 0.00000000 -0.00000000 23.77733326 1 Ga Ga2 1 -0.00000000 0.00000000 15.88542747 1 V V3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Ba2GaV
R-3m
166
trigonal
-3m
5,241.403471
false
[CIF] data_Te2AsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03856783 _cell_length_b 4.28582931 _cell_length_c 7.68110663 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.90377574 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te2AsAu _chemical_formula_sum 'Te2 As1 Au1' _cell_volume 98.82399795 _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 Au Au1 1 0.92486039 0.00000000 3.79427337 1 Te Te2 1 1.44342284 2.14291465 5.62877723 1 Te Te3 1 0.40629794 2.14291465 1.95976952 1 [/CIF]
AsAuTe2
P2/m
10
monoclinic
2/m
8,856.659458
false
[CIF] data_Ag2MoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93057002 _cell_length_b 2.93057002 _cell_length_c 9.36857290 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2MoPb _chemical_formula_sum 'Ag2 Mo1 Pb1' _cell_volume 80.45955864 _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 1.46528501 1.46528501 7.32236181 1 Ag Ag1 1 1.46528501 1.46528501 2.04621109 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 0.00000000 0.00000000 4.68428645 1 [/CIF]
Ag2MoPb
P4/mmm
123
tetragonal
4/mmm
10,709.341009
false
[CIF] data_CaCu2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45869378 _cell_length_b 4.45869378 _cell_length_c 4.45869378 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCu2Si _chemical_formula_sum 'Ca1 Cu2 Si1' _cell_volume 62.67696261 _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 3.15277261 3.15277261 3.15277261 1 Cu Cu1 1 4.72915891 4.72915891 4.72915891 1 Cu Cu2 1 1.57638630 1.57638630 1.57638630 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CaCu2Si
Fm-3m
225
cubic
m-3m
5,173.023264
false
[CIF] data_SrFeHgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14138680 _cell_length_b 5.14138680 _cell_length_c 5.14138680 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrFeHgBi _chemical_formula_sum 'Sr1 Fe1 Hg1 Bi1' _cell_volume 96.10054186 _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 1.81775474 1.81775474 1.81775473 1 Fe Fe1 1 0.00000000 -0.00000000 0.00000000 1 Hg Hg2 1 5.45326421 5.45326421 5.45326421 1 Sr Sr3 1 3.63550947 3.63550947 3.63550947 1 [/CIF]
BiFeHgSr
F-43m
216
cubic
-43m
9,556.001133
false
[CIF] data_BaVRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14438121 _cell_length_b 3.14438121 _cell_length_c 7.85852787 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaVRh2 _chemical_formula_sum 'Ba1 V1 Rh2' _cell_volume 77.69831176 _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 0.00000000 0.00000000 3.92926394 1 Rh Rh1 1 1.57219061 1.57219061 6.48681319 1 Rh Rh2 1 1.57219061 1.57219061 1.37171468 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaRh2V
P4/mmm
123
tetragonal
4/mmm
8,422.192234
false
[CIF] data_CuGe2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14970643 _cell_length_b 3.14970643 _cell_length_c 5.77544374 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuGe2Ru _chemical_formula_sum 'Cu1 Ge2 Ru1' _cell_volume 57.29615938 _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 Ge Ge1 1 1.57485322 1.57485322 1.41906632 1 Ge Ge2 1 1.57485322 1.57485322 4.35637742 1 Ru Ru3 1 0.00000000 0.00000000 2.88772187 1 [/CIF]
CuGe2Ru
P4/mmm
123
tetragonal
4/mmm
8,981.307302
false
[CIF] data_CdNiPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83964818 _cell_length_b 3.82918362 _cell_length_c 5.65208001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdNiPd2 _chemical_formula_sum 'Cd1 Ni1 Pd2' _cell_volume 61.45808584 _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 1.41982409 1.91459181 2.84097224 1 Ni Ni1 1 0.00000000 0.00000000 4.36025315 1 Pd Pd2 1 1.41982409 1.91459181 5.55256299 1 Pd Pd3 1 0.00000000 0.00000000 1.37641165 1 [/CIF]
CdNiPd2
Pmm2
25
orthorhombic
mm2
10,373.812768
false
[CIF] data_Cd3AgBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37251720 _cell_length_b 5.37251720 _cell_length_c 5.37251720 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd3AgBr _chemical_formula_sum 'Cd3 Ag1 Br1' _cell_volume 155.07201983 _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 0.00000000 1 Ag Ag1 1 2.68625860 2.68625860 2.68625860 1 Cd Cd2 1 2.68625860 0.00000000 2.68625860 1 Cd Cd3 1 2.68625860 2.68625860 0.00000000 1 Cd Cd4 1 0.00000000 2.68625860 2.68625860 1 [/CIF]
AgBrCd3
Pm-3m
221
cubic
m-3m
5,621.850065
false
[CIF] data_KCrTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92269393 _cell_length_b 3.92269393 _cell_length_c 8.83321048 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.79229107 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCrTe2 _chemical_formula_sum 'K1 Cr1 Te2' _cell_volume 123.39393811 _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 4.41660524 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 2.11365520 0.00000000 2.65617528 1 Te Te3 1 2.11365520 0.00000000 6.17703520 1 [/CIF]
CrKTe2
Cmmm
65
orthorhombic
mmm
4,660.159069
false
[CIF] data_HfMg2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19110793 _cell_length_b 4.19110793 _cell_length_c 4.50670475 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMg2Al _chemical_formula_sum 'Hf1 Mg2 Al1' _cell_volume 79.16200708 _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 Hf Hf1 1 2.09555397 2.09555397 0.00000000 1 Mg Mg2 1 2.09555397 0.00000000 2.25335237 1 Mg Mg3 1 0.00000000 2.09555397 2.25335237 1 [/CIF]
AlHfMg2
P4/mmm
123
tetragonal
4/mmm
5,329.732488
false
[CIF] data_BaY2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36131049 _cell_length_b 5.36131049 _cell_length_c 5.36131049 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaY2Ir _chemical_formula_sum 'Ba1 Y2 Ir1' _cell_volume 108.96772372 _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 3.79101900 3.79101900 3.79101900 1 Ir Ir1 1 5.68652850 5.68652850 5.68652850 1 Y Y2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 1.89550950 1.89550950 1.89550950 1 [/CIF]
BaIrY2
F-43m
216
cubic
-43m
7,731.500042
false
[CIF] data_Ba2TaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90471115 _cell_length_b 5.03763274 _cell_length_c 5.51352571 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TaNi _chemical_formula_sum 'Ba2 Ta1 Ni1' _cell_volume 108.45381150 _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 1.95235557 2.51881637 0.00000000 1 Ba Ba1 1 0.00000000 2.51881637 2.75676285 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.95235557 0.00000000 2.75676285 1 [/CIF]
Ba2NiTa
Pmmm
47
orthorhombic
mmm
7,874.388114
false
[CIF] data_MgTi2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.81064282 _cell_length_b 9.81064282 _cell_length_c 9.81064282 _cell_angle_alpha 18.71346838 _cell_angle_beta 18.71346838 _cell_angle_gamma 18.71346838 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTi2Bi _chemical_formula_sum 'Mg1 Ti2 Bi1' _cell_volume 84.92412334 _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 0.00000000 -0.00000000 14.45431785 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 0.00000000 -0.00000000 21.70128324 1 Ti Ti3 1 0.00000000 -0.00000000 7.20735246 1 [/CIF]
BiMgTi2
R-3m
166
trigonal
-3m
6,433.384831
false
[CIF] data_KMnRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.54056815 _cell_length_b 4.46920934 _cell_length_c 5.49700039 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.33509151 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMnRu2 _chemical_formula_sum 'K1 Mn1 Ru2' _cell_volume 62.14437669 _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 1.00060441 0.00000000 2.78867226 1 Mn Mn1 1 0.26964531 2.23460467 4.43201085 1 Ru Ru2 1 -0.45590571 0.00000000 5.41862790 1 Ru Ru3 1 1.71872479 2.23460467 1.04365659 1 [/CIF]
KMnRu2
Pm
6
monoclinic
m
7,914.028874
false
[CIF] data_Mn3Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13535685 _cell_length_b 5.13535685 _cell_length_c 12.55995203 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3Re _chemical_formula_sum 'Mn18 Re6' _cell_volume 286.85331096 _cell_formula_units_Z 6 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 -1.25249733 2.24176999 9.41996402 1 Mn Mn1 1 3.82017576 2.20557950 3.13998801 1 Mn Mn2 1 -0.00000000 1.49641756 11.50927373 1 Mn Mn3 1 -0.00000000 1.49641756 7.33065431 1 Mn Mn4 1 -1.27174280 3.69914071 11.50927373 1 Mn Mn5 1 -1.27174280 3.69914071 7.33065431 1 Mn Mn6 1 1.29593562 0.74820878 1.05067830 1 Mn Mn7 1 1.29593562 0.74820878 5.22929772 1 Mn Mn8 1 0.00000000 4.41115900 9.41996402 1 Mn Mn9 1 2.56767842 0.03619048 3.13998801 1 Mn Mn10 1 1.25249733 2.24176999 9.41996402 1 Mn Mn11 1 1.31518109 2.20557950 3.13998801 1 Mn Mn12 1 1.27174280 3.69914071 11.50927373 1 Mn Mn13 1 1.27174280 3.69914071 7.33065431 1 Mn Mn14 1 3.83942122 0.74820878 1.05067830 1 Mn Mn15 1 3.83942122 0.74820878 5.22929772 1 Mn Mn16 1 2.56767842 2.95093193 1.05067830 1 Mn Mn17 1 2.56767842 2.95093193 5.22929772 1 Re Re18 1 0.00000000 0.00000000 9.41996402 1 Re Re19 1 0.00000000 0.00000000 3.13998801 1 Re Re20 1 -0.00000000 2.96489966 1.05848518 1 Re Re21 1 -0.00000000 2.96489966 5.22149083 1 Re Re22 1 2.56767842 1.48244983 11.50146685 1 Re Re23 1 2.56767842 1.48244983 7.33846120 1 [/CIF]
Mn18Re6
P6_3/mmc
194
hexagonal
6/mmm
12,191.965986
false
[CIF] data_InAg4Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44130031 _cell_length_b 5.44130031 _cell_length_c 5.44130031 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InAg4Pt _chemical_formula_sum 'In1 Ag4 Pt1' _cell_volume 113.91819364 _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 2.88689281 2.88689281 4.80826789 1 Ag Ag1 1 2.88689281 4.80826789 2.88689281 1 Ag Ag2 1 4.80826789 2.88689281 2.88689281 1 Ag Ag3 1 4.80826789 4.80826789 4.80826789 1 In In4 1 0.00000000 0.00000000 0.00000000 1 Pt Pt5 1 1.92379017 1.92379018 1.92379017 1 [/CIF]
Ag4InPt
F-43m
216
cubic
-43m
10,806.718216
false
[CIF] data_Ag2SbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19434002 _cell_length_b 5.19434002 _cell_length_c 4.62552005 _cell_angle_alpha 105.91689441 _cell_angle_beta 105.91689441 _cell_angle_gamma 43.14806836 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2SbAu _chemical_formula_sum 'Ag2 Sb1 Au1' _cell_volume 81.55454856 _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 1.39827466 0.00000000 3.29169513 1 Ag Ag1 1 6.89852946 0.00000000 1.12811546 1 Au Au2 1 4.14840206 0.00000000 2.20990530 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2AuSb
C2/m
12
monoclinic
2/m
10,882.245752
false
[CIF] data_Ta2ZnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02599517 _cell_length_b 4.02599517 _cell_length_c 4.03761663 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2ZnPt _chemical_formula_sum 'Ta2 Zn1 Pt1' _cell_volume 65.44426274 _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 Pt Pt0 1 2.01299758 2.01299758 0.00000000 1 Ta Ta1 1 2.01299758 0.00000000 2.01880831 1 Ta Ta2 1 0.00000000 2.01299758 2.01880831 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtTa2Zn
P4/mmm
123
tetragonal
4/mmm
15,791.34139
false
[CIF] data_ZnGaNiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26543272 _cell_length_b 4.26543272 _cell_length_c 4.26543272 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnGaNiPt _chemical_formula_sum 'Zn1 Ga1 Ni1 Pt1' _cell_volume 54.87496926 _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 Ga Ga0 1 1.50805820 1.50805820 1.50805820 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 3.01611640 3.01611640 3.01611640 1 Zn Zn3 1 4.52417460 4.52417460 4.52417460 1 [/CIF]
GaNiPtZn
F-43m
216
cubic
-43m
11,767.680331
false
[CIF] data_LaLuAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17867895 _cell_length_b 5.17867895 _cell_length_c 5.17867895 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaLuAl2 _chemical_formula_sum 'La1 Lu1 Al2' _cell_volume 98.20689154 _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 5.49281850 5.49281850 5.49281850 1 Al Al1 1 1.83093950 1.83093950 1.83093950 1 La La2 1 0.00000000 0.00000000 0.00000000 1 Lu Lu3 1 3.66187900 3.66187900 3.66187900 1 [/CIF]
Al2LaLu
Fm-3m
225
cubic
m-3m
6,219.573337
false
[CIF] data_Re2GeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03770716 _cell_length_b 4.07886856 _cell_length_c 5.10822013 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2GeAs _chemical_formula_sum 'Re2 Ge1 As1' _cell_volume 63.29293274 _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 1.51885358 0.00000000 2.55411007 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 0.00000000 2.03943428 2.55411007 1 Re Re3 1 1.51885358 2.03943428 0.00000000 1 [/CIF]
AsGeRe2
Pmmm
47
orthorhombic
mmm
13,641.962225
false
[CIF] data_YNiSnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82732473 _cell_length_b 4.82732473 _cell_length_c 4.82732473 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNiSnAu _chemical_formula_sum 'Y1 Ni1 Sn1 Au1' _cell_volume 79.54347229 _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 Y Y0 1 3.41343405 3.41343405 3.41343405 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Au Au2 1 5.12015108 5.12015108 5.12015108 1 Sn Sn3 1 1.70671703 1.70671703 1.70671703 1 [/CIF]
AuNiSnY
F-43m
216
cubic
-43m
9,671.285071
false
[CIF] data_BaSr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41419737 _cell_length_b 6.10226434 _cell_length_c 8.81125656 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSr _chemical_formula_sum 'Ba2 Sr2' _cell_volume 237.34528641 _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 Ba Ba0 1 0.00000000 0.00000000 5.56089398 1 Ba Ba1 1 2.20709869 3.05113217 3.25036258 1 Sr Sr2 1 0.00000000 0.00000000 1.06000571 1 Sr Sr3 1 2.20709869 3.05113217 7.75125085 1 [/CIF]
Ba2Sr2
Pmmn
59
orthorhombic
mmm
3,147.593846
false
[CIF] data_MgBW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25452098 _cell_length_b 4.25452098 _cell_length_c 4.25452098 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBW2 _chemical_formula_sum 'Mg1 B1 W2' _cell_volume 54.45490569 _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 Mg Mg1 1 3.00840063 3.00840063 3.00840063 1 W W2 1 1.50420032 1.50420032 1.50420032 1 W W3 1 4.51260095 4.51260095 4.51260095 1 [/CIF]
BMgW2
Fm-3m
225
cubic
m-3m
12,282.795927
false
[CIF] data_In2CuP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26545986 _cell_length_b 3.26545986 _cell_length_c 7.88448261 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2CuP _chemical_formula_sum 'In2 Cu1 P1' _cell_volume 84.07403650 _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 1.63272993 1.63272993 5.30332535 1 In In1 1 0.00000000 0.00000000 7.48626775 1 In In2 1 1.63272993 1.63272993 2.33333859 1 P P3 1 0.00000000 0.00000000 4.58827476 1 [/CIF]
CuIn2P
P4mm
99
tetragonal
4mm
6,402.372586
false
[CIF] data_Zn2InSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53026060 _cell_length_b 3.53026060 _cell_length_c 7.06818626 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2InSn _chemical_formula_sum 'Zn2 In1 Sn1' _cell_volume 88.08896695 _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 0.00000000 1 Sn Sn1 1 0.00000000 0.00000000 3.53409313 1 Zn Zn2 1 1.76513030 1.76513030 5.30114259 1 Zn Zn3 1 1.76513030 1.76513030 1.76704367 1 [/CIF]
InSnZn2
P4/mmm
123
tetragonal
4/mmm
6,867.085362
false
[CIF] data_CoReRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69454622 _cell_length_b 2.69454622 _cell_length_c 7.40451284 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoReRu2 _chemical_formula_sum 'Co1 Re1 Ru2' _cell_volume 53.76105289 _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 Re Re1 1 0.00000000 0.00000000 3.70225642 1 Ru Ru2 1 1.34727311 1.34727311 5.64005060 1 Ru Ru3 1 1.34727311 1.34727311 1.76446224 1 [/CIF]
CoReRu2
P4/mmm
123
tetragonal
4/mmm
13,815.321643
false
[CIF] data_YPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82000405 _cell_length_b 4.82000405 _cell_length_c 5.75661513 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YPd2 _chemical_formula_sum 'Y2 Pd4' _cell_volume 115.82241938 _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 Pd Pd0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 0.00000000 0.00000000 2.87830757 1 Pd Pd2 1 -0.00000000 2.78283063 4.31746135 1 Pd Pd3 1 2.41000202 1.39141532 1.43915378 1 Y Y4 1 -0.00000000 2.78283063 1.43915378 1 Y Y5 1 2.41000202 1.39141532 4.31746135 1 [/CIF]
Pd4Y2
P6_3/mmc
194
hexagonal
6/mmm
8,652.224132
false
[CIF] data_Ba2TlSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97434481 _cell_length_b 4.86321982 _cell_length_c 8.01168197 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TlSn _chemical_formula_sum 'Ba2 Tl1 Sn1' _cell_volume 154.85069020 _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 1.98717241 2.43160991 6.11371571 1 Ba Ba1 1 1.98717241 2.43160991 1.89796626 1 Sn Sn2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 4.00584098 1 [/CIF]
Ba2SnTl
Pmmm
47
orthorhombic
mmm
6,410.051738
false
[CIF] data_PdSeS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66828635 _cell_length_b 4.66828635 _cell_length_c 4.66828635 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PdSeS3 _chemical_formula_sum 'Pd1 Se1 S3' _cell_volume 101.73548567 _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 S S0 1 2.33414317 0.00000000 2.33414317 1 S S1 1 2.33414317 2.33414317 0.00000000 1 S S2 1 0.00000000 2.33414317 2.33414317 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 Pd Pd4 1 2.33414317 2.33414317 2.33414317 1 [/CIF]
PdS3Se
Pm-3m
221
cubic
m-3m
4,595.901662
false
[CIF] data_Tc2SnSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61433551 _cell_length_b 4.61433551 _cell_length_c 4.61433551 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2SnSb _chemical_formula_sum 'Tc2 Sn1 Sb1' _cell_volume 69.47243312 _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 3.26282793 3.26282793 3.26282793 1 Sn Sn1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 4.89424189 4.89424190 4.89424190 1 Tc Tc3 1 1.63141397 1.63141396 1.63141396 1 [/CIF]
SbSnTc2
Fm-3m
225
cubic
m-3m
10,475.882515
false
[CIF] data_BaFeCuHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10517030 _cell_length_b 5.10517030 _cell_length_c 5.10517030 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaFeCuHg _chemical_formula_sum 'Ba1 Fe1 Cu1 Hg1' _cell_volume 94.08398518 _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 5.41485081 5.41485081 5.41485081 1 Cu Cu1 1 3.60990054 3.60990054 3.60990054 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Hg Hg3 1 1.80495027 1.80495027 1.80495027 1 [/CIF]
BaCuFeHg
F-43m
216
cubic
-43m
8,071.275872
false
[CIF] data_Cr2CdB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49263906 _cell_length_b 4.49263906 _cell_length_c 4.49263906 _cell_angle_alpha 131.74794850 _cell_angle_beta 131.74794850 _cell_angle_gamma 70.62740732 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2CdB _chemical_formula_sum 'Cr2 Cd1 B1' _cell_volume 49.44921792 _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 1.83634402 -0.00000000 1.83299530 1 Cr Cr2 1 0.00000000 0.00000000 3.66599059 1 Cr Cr3 1 -0.00000000 1.83634402 1.83299530 1 [/CIF]
BCdCr2
I-4m2
119
tetragonal
-42m
7,630.010573
false
[CIF] data_ScFeIrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40474978 _cell_length_b 4.40474978 _cell_length_c 4.40474978 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScFeIrOs _chemical_formula_sum 'Sc1 Fe1 Ir1 Os1' _cell_volume 60.42946235 _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 3.11462844 3.11462844 3.11462844 1 Ir Ir1 1 4.67194266 4.67194266 4.67194266 1 Os Os2 1 1.55731422 1.55731422 1.55731422 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeIrOsSc
F-43m
216
cubic
-43m
13,279.152346
false
[CIF] data_BeCoBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16000635 _cell_length_b 5.74660730 _cell_length_c 3.15491388 _cell_angle_alpha 82.02414499 _cell_angle_beta 67.49792078 _cell_angle_gamma 30.47793423 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCoBr _chemical_formula_sum 'Be1 Co1 Br1' _cell_volume 47.78416620 _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 1.58607988 2.72723893 11.01087936 1 Br Br1 1 1.58607988 2.72723893 7.12746701 1 Co Co2 1 1.58607988 2.72723893 3.95521698 1 [/CIF]
BeBrCo
Fmm2
42
orthorhombic
mm2
5,137.887422
false
[CIF] data_TiAlNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18043261 _cell_length_b 4.18043261 _cell_length_c 4.18043261 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAlNi2 _chemical_formula_sum 'Ti1 Al1 Ni2' _cell_volume 51.65931987 _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 Ni Ni1 1 1.47800612 1.47800612 1.47800612 1 Ni Ni2 1 2.95601225 2.95601225 2.95601225 1 Ti Ti3 1 4.43401837 4.43401837 4.43401837 1 [/CIF]
AlNi2Ti
F-43m
216
cubic
-43m
6,179.219752
false
[CIF] data_CrGaB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82152515 _cell_length_b 3.82152515 _cell_length_c 3.82152515 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGaB2 _chemical_formula_sum 'Cr1 Ga1 B2' _cell_volume 39.46346074 _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 1.35111317 1.35111317 1.35111317 1 B B1 1 4.05333952 4.05333952 4.05333952 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Ga Ga3 1 2.70222635 2.70222635 2.70222635 1 [/CIF]
B2CrGa
Fm-3m
225
cubic
m-3m
6,031.490699
false
[CIF] data_Nb3Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.05541451 _cell_length_b 9.05541451 _cell_length_c 9.05541451 _cell_angle_alpha 154.51867572 _cell_angle_beta 154.51867572 _cell_angle_gamma 36.34615454 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Zn _chemical_formula_sum 'Nb6 Zn2' _cell_volume 137.25608198 _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 Nb Nb0 1 0.00000000 1.99706730 -0.00000000 1 Nb Nb1 1 1.99706730 0.00000000 -0.00000000 1 Nb Nb2 1 0.00000000 1.99706730 4.30185938 1 Nb Nb3 1 1.99706730 -0.00000000 4.30185938 1 Nb Nb4 1 0.00000000 -0.00000000 2.11095397 1 Nb Nb5 1 0.00000000 -0.00000000 15.09648353 1 Zn Zn6 1 0.00000000 -0.00000000 6.43469906 1 Zn Zn7 1 0.00000000 0.00000000 10.77273844 1 [/CIF]
Nb6Zn2
I4/mmm
139
tetragonal
4/mmm
8,325.897935
false
[CIF] data_Ca2ScCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26927603 _cell_length_b 5.26927603 _cell_length_c 5.26927603 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2ScCu _chemical_formula_sum 'Ca2 Sc1 Cu1' _cell_volume 103.45175199 _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 1.86297041 1.86297041 1.86297041 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Cu Cu2 1 5.58891122 5.58891122 5.58891122 1 Sc Sc3 1 3.72594081 3.72594081 3.72594081 1 [/CIF]
Ca2CuSc
F-43m
216
cubic
-43m
3,028.211964
false
[CIF] data_Nb2AlCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36124237 _cell_length_b 3.36124237 _cell_length_c 6.72132170 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2AlCl _chemical_formula_sum 'Nb2 Al1 Cl1' _cell_volume 75.93715854 _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 2.94561406 1 Cl Cl1 1 1.68062119 1.68062119 5.54813120 1 Nb Nb2 1 0.00000000 0.00000000 0.00679835 1 Nb Nb3 1 1.68062119 1.68062119 1.58143895 1 [/CIF]
AlClNb2
P4mm
99
tetragonal
4mm
5,428.512136
false
[CIF] data_YTi2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40963872 _cell_length_b 4.40963872 _cell_length_c 4.25186387 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTi2Te _chemical_formula_sum 'Y1 Ti2 Te1' _cell_volume 82.67712577 _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 Te Te0 1 2.20481936 2.20481936 0.00000000 1 Ti Ti1 1 2.20481936 0.00000000 2.12593194 1 Ti Ti2 1 0.00000000 2.20481936 2.12593194 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
TeTi2Y
P4/mmm
123
tetragonal
4/mmm
6,271.220296
false
[CIF] data_Zn2SnCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98848128 _cell_length_b 4.98848128 _cell_length_c 4.98848128 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2SnCl _chemical_formula_sum 'Zn2 Sn1 Cl1' _cell_volume 87.77888142 _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 0.00000000 1 Sn Sn1 1 3.52738894 3.52738894 3.52738894 1 Zn Zn2 1 1.76369447 1.76369447 1.76369447 1 Zn Zn3 1 5.29108341 5.29108341 5.29108341 1 [/CIF]
ClSnZn2
Fm-3m
225
cubic
m-3m
5,389.972677
false
[CIF] data_Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81297453 _cell_length_b 2.81297453 _cell_length_c 2.81297453 _cell_angle_alpha 68.26146245 _cell_angle_beta 68.26146245 _cell_angle_gamma 68.26146245 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb _chemical_formula_sum Nb1 _cell_volume 18.49051711 _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 -0.00000000 1 [/CIF]
Nb
R-3m
166
trigonal
-3m
8,343.448299
false
[CIF] data_Li2YIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33815612 _cell_length_b 5.33815612 _cell_length_c 4.25166699 _cell_angle_alpha 112.54792236 _cell_angle_beta 112.54792236 _cell_angle_gamma 40.65480928 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2YIr _chemical_formula_sum 'Li2 Y1 Ir1' _cell_volume 72.03144351 _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 4.13640992 0.00000000 1.93996994 1 Li Li1 1 7.20513824 0.00000000 1.05363713 1 Li Li2 1 1.06768159 0.00000000 2.82630275 1 Y Y3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
IrLi2Y
C2/m
12
monoclinic
2/m
6,800.739433
false
[CIF] data_KTaSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08483052 _cell_length_b 5.08483052 _cell_length_c 5.08483052 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTaSe _chemical_formula_sum 'K1 Ta1 Se1' _cell_volume 92.96392427 _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 Se Se1 1 5.39327721 5.39327721 5.39327721 1 Ta Ta2 1 1.79775907 1.79775907 1.79775907 1 [/CIF]
KSeTa
F-43m
216
cubic
-43m
5,340.904517
false
[CIF] data_LiP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76258354 _cell_length_b 8.76258354 _cell_length_c 3.27320779 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 157.27000575 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiP2 _chemical_formula_sum 'Li2 P4' _cell_volume 97.10969772 _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 Li Li0 1 1.72674105 6.46839659 2.45490584 1 Li Li1 1 1.72674105 -6.46839659 0.81830195 1 P P2 1 1.72674105 0.72089899 2.45490584 1 P P3 1 1.72674105 -0.72089899 0.81830195 1 P P4 1 1.72674105 -4.16587169 2.45490584 1 P P5 1 1.72674105 4.16587169 0.81830195 1 [/CIF]
Li2P4
Cmcm
63
orthorhombic
mmm
2,355.93536
false
[CIF] data_Nb2TcSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55480816 _cell_length_b 4.55480816 _cell_length_c 4.55480816 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2TcSe _chemical_formula_sum 'Nb2 Tc1 Se1' _cell_volume 66.81827714 _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 4.83110361 4.83110361 4.83110361 1 Nb Nb1 1 1.61036787 1.61036787 1.61036787 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 3.22073574 3.22073574 3.22073574 1 [/CIF]
Nb2SeTc
Fm-3m
225
cubic
m-3m
9,037.992996
false
[CIF] data_TaAgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63308066 _cell_length_b 4.63308066 _cell_length_c 4.63308066 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAgPb _chemical_formula_sum 'Ta1 Ag1 Pb1' _cell_volume 70.32254581 _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 Pb Pb1 1 1.63804138 1.63804138 1.63804138 1 Ta Ta2 1 4.91412413 4.91412413 4.91412413 1 [/CIF]
AgPbTa
F-43m
216
cubic
-43m
11,712.517927
false
[CIF] data_Na2MnSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72510700 _cell_length_b 5.72510700 _cell_length_c 4.16204521 _cell_angle_alpha 108.67945464 _cell_angle_beta 108.67945464 _cell_angle_gamma 28.82188761 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2MnSi _chemical_formula_sum 'Na2 Mn1 Si1' _cell_volume 62.06614138 _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 4.85682204 0.00000000 1.96395194 1 Na Na1 1 7.92759751 -0.00000000 0.96553137 1 Na Na2 1 1.78604657 -0.00000000 2.96237251 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MnNa2Si
C2/m
12
monoclinic
2/m
3,451.393226
false
[CIF] data_ScTiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66116803 _cell_length_b 5.66116803 _cell_length_c 5.66116803 _cell_angle_alpha 147.49492353 _cell_angle_beta 147.49492353 _cell_angle_gamma 46.63152187 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTiRu _chemical_formula_sum 'Sc1 Ti1 Ru1' _cell_volume 52.20329960 _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 Ru Ru0 1 0.00000000 -0.00000000 0.11634557 1 Sc Sc1 1 0.00000000 -0.00000000 3.60828696 1 Ti Ti2 1 0.00000000 0.00000000 6.67309371 1 [/CIF]
RuScTi
I4mm
107
tetragonal
4mm
6,167.555645
false
[CIF] data_TaCr2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40105617 _cell_length_b 4.40105617 _cell_length_c 4.40105617 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCr2Te _chemical_formula_sum 'Ta1 Cr2 Te1' _cell_volume 60.27756993 _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 4.66802499 4.66802499 4.66802499 1 Cr Cr1 1 1.55600833 1.55600833 1.55600833 1 Ta Ta2 1 3.11201666 3.11201666 3.11201666 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2TaTe
Fm-3m
225
cubic
m-3m
11,364.740154
false
[CIF] data_BaNb2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20349701 _cell_length_b 3.76443933 _cell_length_c 8.07256349 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNb2Os _chemical_formula_sum 'Ba1 Nb2 Os1' _cell_volume 97.35003109 _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 0.00000000 0.00000000 5.90645503 1 Nb Nb1 1 1.60174850 1.88221966 0.73318331 1 Nb Nb2 1 0.00000000 0.00000000 2.18479749 1 Os Os3 1 1.60174850 1.88221966 3.28440940 1 [/CIF]
BaNb2Os
Pmm2
25
orthorhombic
mm2
8,756.756753
false
[CIF] data_ZrSnPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70155723 _cell_length_b 4.70155723 _cell_length_c 4.70155723 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSnPd2 _chemical_formula_sum 'Zr1 Sn1 Pd2' _cell_volume 73.48694330 _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 Zr Zr0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 3.32450300 3.32450300 3.32450300 1 Pd Pd2 1 1.66225150 1.66225150 1.66225150 1 Pd Pd3 1 4.98675450 4.98675450 4.98675450 1 [/CIF]
Pd2SnZr
Fm-3m
225
cubic
m-3m
9,553.16294
false
[CIF] data_Hf2VSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26929801 _cell_length_b 5.26929801 _cell_length_c 4.79511360 _cell_angle_alpha 107.25248209 _cell_angle_beta 107.25248209 _cell_angle_gamma 35.56333358 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2VSe _chemical_formula_sum 'Hf2 V1 Se1' _cell_volume 73.58214572 _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 Hf Hf0 1 0.08875439 0.00000000 0.11171597 1 Hf Hf1 1 1.34759494 0.00000000 3.24805292 1 Se Se2 1 4.00886657 -0.00000000 2.32085607 1 V V3 1 7.36724372 0.00000000 1.15427109 1 [/CIF]
Hf2SeV
Cm
8
monoclinic
m
10,987.526168
false
[CIF] data_TiNb2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10907139 _cell_length_b 4.69673700 _cell_length_c 4.91440927 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.26769697 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNb2Se _chemical_formula_sum 'Ti1 Nb2 Se1' _cell_volume 71.64593737 _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 1.98078855 2.34836850 1.16926127 1 Nb Nb1 1 0.84815582 2.34836850 3.73715772 1 Se Se2 1 1.41447219 0.00000000 2.45320949 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb2SeTi
P2/m
10
monoclinic
2/m
7,246.05685
false
[CIF] data_TlGeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06145519 _cell_length_b 3.02521773 _cell_length_c 7.68762347 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.09039553 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlGeIr2 _chemical_formula_sum 'Tl1 Ge1 Ir2' _cell_volume 70.65496386 _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 Ir Ir1 1 1.48466884 1.51260887 1.45496196 1 Ir Ir2 1 0.62786354 1.51260887 6.17387150 1 Tl Tl3 1 1.05626619 0.00000000 3.81441673 1 [/CIF]
GeIr2Tl
P2/m
10
monoclinic
2/m
15,545.626626
false
[CIF] data_MnAsRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72831715 _cell_length_b 4.72831715 _cell_length_c 4.63112822 _cell_angle_alpha 109.49475432 _cell_angle_beta 109.49475432 _cell_angle_gamma 34.22257745 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAsRh2 _chemical_formula_sum 'Mn1 As1 Rh2' _cell_volume 54.56553175 _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 3.46612033 0.00000000 2.37741223 1 Mn Mn1 1 6.65349138 -0.00000000 0.91260869 1 Rh Rh2 1 0.09586435 -0.00000000 0.17874408 1 Rh Rh3 1 0.91595528 0.00000000 3.04068060 1 [/CIF]
AsMnRh2
Cm
8
monoclinic
m
10,215.134017
false
[CIF] data_TiCuAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92646036 _cell_length_b 4.92646036 _cell_length_c 4.88977585 _cell_angle_alpha 98.97722803 _cell_angle_beta 98.97722803 _cell_angle_gamma 33.24644568 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCuAg2 _chemical_formula_sum 'Ti1 Cu1 Ag2' _cell_volume 64.19399009 _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 6.91630434 -0.00000000 1.22210243 1 Ag Ag1 1 1.72854085 -0.00000000 3.60240076 1 Cu Cu2 1 4.32242260 -0.00000000 2.41225159 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2CuTi
C2/m
12
monoclinic
2/m
8,462.542343
false
[CIF] data_SrTlMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02968543 _cell_length_b 6.02968543 _cell_length_c 6.02968543 _cell_angle_alpha 146.19546402 _cell_angle_beta 127.76674705 _cell_angle_gamma 63.67969990 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTlMo2 _chemical_formula_sum 'Sr1 Tl1 Mo2' _cell_volume 95.34003340 _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 0.48152051 1 Mo Mo1 1 1.75307115 0.00000000 2.13637211 1 Sr Sr2 1 -0.00000000 0.00000000 4.89810767 1 Tl Tl3 1 0.00000000 2.65426600 2.72874869 1 [/CIF]
Mo2SrTl
Imm2
44
orthorhombic
mm2
8,428.500769
false
[CIF] data_Dy2GaW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99473643 _cell_length_b 4.99473643 _cell_length_c 4.99473643 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy2GaW _chemical_formula_sum 'Dy2 Ga1 W1' _cell_volume 88.10949846 _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 Dy Dy0 1 1.76590600 1.76590600 1.76590600 1 Dy Dy1 1 5.29771800 5.29771800 5.29771800 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.53181200 3.53181200 3.53181200 1 [/CIF]
Dy2GaW
Fm-3m
225
cubic
m-3m
10,903.778603
false
[CIF] data_ScNiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.47856801 _cell_length_b 3.87225704 _cell_length_c 6.69026233 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNiP _chemical_formula_sum 'Sc4 Ni4 P4' _cell_volume 193.74288951 _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 Ni Ni0 1 0.42505638 2.90419278 6.06847289 1 Ni Ni1 1 3.31422763 0.96806426 2.72334173 1 Ni Ni2 1 7.05351163 0.96806426 0.62178944 1 Ni Ni3 1 4.16434038 2.90419278 3.96692060 1 P P4 1 7.22236461 2.90419278 1.63142602 1 P P5 1 3.99548741 0.96806426 4.97655719 1 P P6 1 0.25620340 0.96806426 5.05883631 1 P P7 1 3.48308060 2.90419278 1.71370514 1 Sc Sc8 1 1.48690497 2.90419278 3.61130225 1 Sc Sc9 1 2.25237903 0.96806426 0.26617108 1 Sc Sc10 1 5.99166304 0.96806426 3.07896008 1 Sc Sc11 1 5.22618898 2.90419278 6.42409125 1 [/CIF]
Ni4P4Sc4
Pnma
62
orthorhombic
mmm
4,615.330642
false
[CIF] data_RuPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16428046 _cell_length_b 5.16428046 _cell_length_c 8.66243482 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RuPt2 _chemical_formula_sum 'Ru4 Pt8' _cell_volume 200.07381421 _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 Pt Pt0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 0.00000000 0.00000000 4.33121741 1 Pt Pt2 1 -0.00000000 1.51009416 6.49682611 1 Pt Pt3 1 -1.27436032 3.71735099 6.49682611 1 Pt Pt4 1 1.30777991 0.75504708 2.16560870 1 Pt Pt5 1 1.27436032 3.71735099 6.49682611 1 Pt Pt6 1 3.85650056 0.75504708 2.16560870 1 Pt Pt7 1 2.58214023 2.96230391 2.16560870 1 Ru Ru8 1 0.00000000 2.98159872 0.15916748 1 Ru Ru9 1 -0.00000000 2.98159872 4.17204993 1 Ru Ru10 1 2.58214023 1.49079936 4.49038489 1 Ru Ru11 1 2.58214023 1.49079936 8.50326734 1 [/CIF]
Pt8Ru4
P6_3/mmc
194
hexagonal
6/mmm
16,308.378505
false
[CIF] data_MnGaCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29465539 _cell_length_b 6.29465539 _cell_length_c 6.29465539 _cell_angle_alpha 147.87478035 _cell_angle_beta 130.13265766 _cell_angle_gamma 60.56423703 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnGaCl2 _chemical_formula_sum 'Mn1 Ga1 Cl2' _cell_volume 100.49003656 _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 2.65363023 3.71344101 1 Cl Cl1 1 1.74165314 0.00000000 1.72232733 1 Ga Ga2 1 0.00000000 -0.00000000 5.43576834 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2GaMn
Immm
71
orthorhombic
mmm
3,231.63101
false
[CIF] data_MgWCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54297400 _cell_length_b 4.54297400 _cell_length_c 4.54297400 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgWCl2 _chemical_formula_sum 'Mg1 W1 Cl2' _cell_volume 66.29881343 _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 4.81855158 4.81855158 4.81855158 1 Cl Cl1 1 1.60618386 1.60618386 1.60618386 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.21236772 3.21236772 3.21236772 1 [/CIF]
Cl2MgW
Fm-3m
225
cubic
m-3m
6,989.603692
false
[CIF] data_La2CoGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19087218 _cell_length_b 5.19087218 _cell_length_c 5.19087218 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2CoGe _chemical_formula_sum 'La2 Co1 Ge1' _cell_volume 98.90221257 _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 Ge Ge1 1 3.67050092 3.67050092 3.67050092 1 La La2 1 1.83525046 1.83525046 1.83525046 1 La La3 1 5.50575138 5.50575138 5.50575138 1 [/CIF]
CoGeLa2
Fm-3m
225
cubic
m-3m
6,873.439246
false
[CIF] data_Si2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.29997158 _cell_length_b 11.29997158 _cell_length_c 3.51736743 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 161.83718333 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2Br _chemical_formula_sum 'Si4 Br2' _cell_volume 140.00218248 _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 Br Br0 1 1.78356104 9.03071903 2.63802557 1 Br Br1 1 1.78356104 -9.03071903 0.87934186 1 Si Si2 1 1.78356104 0.95825371 2.63802557 1 Si Si3 1 1.78356104 -0.95825371 0.87934186 1 Si Si4 1 1.78356104 -5.56806758 2.63802557 1 Si Si5 1 1.78356104 5.56806758 0.87934186 1 [/CIF]
Br2Si4
Cmcm
63
orthorhombic
mmm
3,227.919015
false
[CIF] data_AgBiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06725800 _cell_length_b 4.06725800 _cell_length_c 4.06725800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgBiO3 _chemical_formula_sum 'Ag1 Bi1 O3' _cell_volume 67.28297191 _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 Bi Bi1 1 2.03362900 2.03362900 2.03362900 1 O O2 1 0.00000000 0.00000000 2.03362900 1 O O3 1 2.03362900 0.00000000 0.00000000 1 O O4 1 0.00000000 2.03362900 0.00000000 1 [/CIF]
AgBiO3
Pm-3m
221
cubic
m-3m
9,004.393645
false
[CIF] data_Y2PtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08846838 _cell_length_b 4.08846838 _cell_length_c 5.92979042 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2PtAu _chemical_formula_sum 'Y2 Pt1 Au1' _cell_volume 99.11984876 _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 2.04423419 2.04423419 2.47227313 1 Pt Pt1 1 0.00000000 0.00000000 5.00636883 1 Y Y2 1 2.04423419 2.04423419 5.39452283 1 Y Y3 1 0.00000000 0.00000000 1.95131127 1 [/CIF]
AuPtY2
P4mm
99
tetragonal
4mm
9,547.919369
false
[CIF] data_ZnBi2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20033309 _cell_length_b 5.20033309 _cell_length_c 5.20033309 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnBi2Cl _chemical_formula_sum 'Zn1 Bi2 Cl1' _cell_volume 99.44397753 _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 5.51578619 5.51578619 5.51578619 1 Bi Bi1 1 1.83859540 1.83859540 1.83859540 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 3.67719079 3.67719079 3.67719079 1 [/CIF]
Bi2ClZn
Fm-3m
225
cubic
m-3m
8,662.941626
false
[CIF] data_KGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39570923 _cell_length_b 6.39570923 _cell_length_c 4.52253565 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 128.72557924 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGa _chemical_formula_sum 'K2 Ga2' _cell_volume 144.32388127 _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 Ga Ga0 1 2.76724013 -5.26284292 1.13063391 1 Ga Ga1 1 2.76724013 5.26284292 3.39190174 1 K K2 1 2.76724013 -1.69048370 1.13063391 1 K K3 1 2.76724013 1.69048370 3.39190174 1 [/CIF]
Ga2K2
Cmcm
63
orthorhombic
mmm
2,504.191877
false
[CIF] data_La2ZrTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10882198 _cell_length_b 4.10882198 _cell_length_c 7.33153106 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2ZrTe _chemical_formula_sum 'La2 Zr1 Te1' _cell_volume 123.77397246 _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 2.05441099 2.05441099 1.88550820 1 La La1 1 2.05441099 2.05441099 5.44602286 1 Te Te2 1 0.00000000 0.00000000 3.66576553 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2TeZr
P4/mmm
123
tetragonal
4/mmm
6,662.855224
false
[CIF] data_TiNi2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90125240 _cell_length_b 3.90125240 _cell_length_c 3.90125240 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNi2C _chemical_formula_sum 'Ti1 Ni2 C1' _cell_volume 41.98528925 _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 Ti Ti0 1 1.37930101 1.37930101 1.37930101 1 Ni Ni1 1 4.13790304 4.13790304 4.13790304 1 Ni Ni2 1 2.75860203 2.75860203 2.75860203 1 C C3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CNi2Ti
F-43m
216
cubic
-43m
7,010.899117
false
[CIF] data_YTaSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00646280 _cell_length_b 5.00646280 _cell_length_c 3.68949948 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaSb2 _chemical_formula_sum 'Y1 Ta1 Sb2' _cell_volume 92.47608607 _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 2.50323140 1.84474974 1 Sb Sb1 1 2.50323140 0.00000000 1.84474974 1 Ta Ta2 1 2.50323140 2.50323140 0.00000000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sb2TaY
P4/mmm
123
tetragonal
4/mmm
9,218.352232
false
[CIF] data_Tl2CuAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68223381 _cell_length_b 4.52534061 _cell_length_c 5.41159825 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2CuAg _chemical_formula_sum 'Tl2 Cu1 Ag1' _cell_volume 90.17542170 _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 1.84111691 0.00000000 2.70579912 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 0.00000000 2.26267030 2.70579912 1 Tl Tl3 1 1.84111691 2.26267030 0.00000000 1 [/CIF]
AgCuTl2
Pmmm
47
orthorhombic
mmm
10,683.763557
false
[CIF] data_Ta2SiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45030658 _cell_length_b 4.45030658 _cell_length_c 3.11105658 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2SiP _chemical_formula_sum 'Ta2 Si1 P1' _cell_volume 61.61518680 _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 P P0 1 2.22515329 2.22515329 0.00000000 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 0.00000000 2.22515329 1.55552829 1 Ta Ta3 1 2.22515329 0.00000000 1.55552829 1 [/CIF]
PSiTa2
P4/mmm
123
tetragonal
4/mmm
11,344.805076
false
[CIF] data_Ga2TcP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39431536 _cell_length_b 4.39431536 _cell_length_c 4.39431536 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2TcP _chemical_formula_sum 'Ga2 Tc1 P1' _cell_volume 60.00102443 _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 Ga Ga0 1 3.10725019 3.10725019 3.10725019 1 Ga Ga1 1 1.55362509 1.55362509 1.55362509 1 P P2 1 -0.00000000 -0.00000000 0.00000000 1 Tc Tc3 1 4.66087528 4.66087528 4.66087529 1 [/CIF]
Ga2PTc
F-43m
216
cubic
-43m
7,453.644097
false
[CIF] data_MnAlTlCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57296853 _cell_length_b 4.57296853 _cell_length_c 4.57296853 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAlTlCr _chemical_formula_sum 'Mn1 Al1 Tl1 Cr1' _cell_volume 67.62069672 _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 Cr Cr1 1 4.85036559 4.85036559 4.85036559 1 Mn Mn2 1 1.61678853 1.61678853 1.61678853 1 Tl Tl3 1 3.23357706 3.23357706 3.23357706 1 [/CIF]
AlCrMnTl
F-43m
216
cubic
-43m
8,307.496162
false
[CIF] data_BeNb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91349632 _cell_length_b 4.91349632 _cell_length_c 6.59812719 _cell_angle_alpha 118.62950900 _cell_angle_beta 118.62950900 _cell_angle_gamma 40.95942379 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNb2 _chemical_formula_sum 'Be2 Nb4' _cell_volume 89.72963783 _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 Be Be0 1 5.23476549 0.00000000 4.84716625 1 Be Be1 1 0.59637307 0.00000000 0.82260831 1 Nb Nb2 1 -0.30453994 0.00000000 3.30904288 1 Nb Nb3 1 3.24996309 0.00000000 0.89832736 1 Nb Nb4 1 2.58117547 0.00000000 4.77144721 1 Nb Nb5 1 6.13567850 0.00000000 2.36073169 1 [/CIF]
Be2Nb4
C2/m
12
monoclinic
2/m
7,210.871127
false
[CIF] data_LaTaMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96436534 _cell_length_b 2.96436534 _cell_length_c 9.57689274 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.68014281 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTaMo2 _chemical_formula_sum 'La1 Ta1 Mo2' _cell_volume 77.64890110 _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 0.00000000 0.00000000 1 Mo Mo1 1 1.64303637 0.00000000 2.66265803 1 Mo Mo2 1 1.64303637 0.00000000 6.91423471 1 Ta Ta3 1 0.00000000 0.00000000 4.78844637 1 [/CIF]
LaMo2Ta
Cmmm
65
orthorhombic
mmm
10,944.387221
false
[CIF] data_V12Sb17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.16181665 _cell_length_b 9.16181665 _cell_length_c 9.16181665 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural V12Sb17 _chemical_formula_sum 'V12 Sb17' _cell_volume 592.00162415 _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 1.59290067 5.76697880 1.59290067 1 Sb Sb1 1 3.69667664 0.47740149 3.69667664 1 Sb Sb2 1 1.59290067 4.81217582 -1.59290067 1 Sb Sb3 1 -1.59290067 4.81217582 1.59290067 1 Sb Sb4 1 1.59290067 -1.59290067 4.81217582 1 Sb Sb5 1 -1.59290067 1.59290067 4.81217582 1 Sb Sb6 1 3.69667664 3.69667664 0.47740149 1 Sb Sb7 1 1.59290067 1.59290067 5.76697880 1 Sb Sb8 1 4.81217582 -1.59290067 1.59290067 1 Sb Sb9 1 4.81217582 1.59290067 -1.59290067 1 Sb Sb10 1 5.76697880 1.59290067 1.59290067 1 Sb Sb11 1 0.47740149 3.69667664 3.69667664 1 Sb Sb12 1 1.66748143 -1.66748143 1.66748143 1 Sb Sb13 1 3.62209588 3.62209588 3.62209588 1 Sb Sb14 1 1.66748143 1.66748143 -1.66748143 1 Sb Sb15 1 -1.66748143 1.66748143 1.66748143 1 Sb Sb16 1 0.00000000 0.00000000 0.00000000 1 V V17 1 4.31831126 -2.53739373 4.31831126 1 V V18 1 0.97126605 2.75218358 0.97126605 1 V V19 1 -0.97126605 7.82697104 0.97126605 1 V V20 1 0.97126605 7.82697104 -0.97126605 1 V V21 1 -0.97126605 0.97126605 7.82697104 1 V V22 1 0.97126605 -0.97126605 7.82697104 1 V V23 1 0.97126605 0.97126605 2.75218358 1 V V24 1 4.31831126 4.31831126 -2.53739373 1 V V25 1 7.82697104 0.97126605 -0.97126605 1 V V26 1 7.82697104 -0.97126605 0.97126605 1 V V27 1 -2.53739373 4.31831126 4.31831126 1 V V28 1 2.75218358 0.97126605 0.97126605 1 [/CIF]
Sb17V12
I-43m
217
cubic
-43m
7,520.701048
false
[CIF] data_SrLaMg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45484039 _cell_length_b 6.87202503 _cell_length_c 6.87202503 _cell_angle_alpha 62.16190538 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLaMg6 _chemical_formula_sum 'Sr1 La1 Mg6' _cell_volume 227.79109568 _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 0.00000000 -0.00000000 4.05815051 1 La La1 1 2.72742019 0.00000000 1.79816166 1 Mg Mg2 1 2.72742019 1.80198089 4.89634370 1 Mg Mg3 1 2.72742019 -1.80198089 4.89634370 1 Mg Mg4 1 2.72742019 0.00000000 7.79216449 1 Mg Mg5 1 0.00000000 1.79507424 6.89294223 1 Mg Mg6 1 0.00000000 -1.79507424 6.89294223 1 Mg Mg7 1 0.00000000 0.00000000 9.85669963 1 [/CIF]
LaMg6Sr
Amm2
38
orthorhombic
mm2
2,714.376533
false
[CIF] data_FePtW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13362034 _cell_length_b 4.13362034 _cell_length_c 4.13362034 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FePtW _chemical_formula_sum 'Fe1 Pt1 W1' _cell_volume 49.94324508 _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 Pt Pt1 1 2.92291097 2.92291097 2.92291097 1 W W2 1 1.46145548 1.46145548 1.46145548 1 [/CIF]
FePtW
F-43m
216
cubic
-43m
14,455.426521
false
[CIF] data_Ca2NbMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86219959 _cell_length_b 4.25983498 _cell_length_c 5.34489954 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2NbMo _chemical_formula_sum 'Ca2 Nb1 Mo1' _cell_volume 87.93606662 _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 1.93109980 2.12991749 0.00000000 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 0.00000000 2.12991749 2.67244977 1 Nb Nb3 1 1.93109980 0.00000000 2.67244977 1 [/CIF]
Ca2MoNb
Pmmm
47
orthorhombic
mmm
5,080.079073
false
[CIF] data_TiP2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34216354 _cell_length_b 5.34216354 _cell_length_c 5.34216354 _cell_angle_alpha 138.96278038 _cell_angle_beta 138.96278038 _cell_angle_gamma 59.43160897 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiP2Se _chemical_formula_sum 'Ti1 P2 Se1' _cell_volume 65.07040939 _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 P P0 1 0.00000000 1.87249027 2.31982066 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 1.87249027 0.00000000 2.31982067 1 Ti Ti3 1 0.00000000 0.00000000 4.63964133 1 [/CIF]
P2SeTi
I-4m2
119
tetragonal
-42m
4,817.358225
false
[CIF] data_BOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92386740 _cell_length_b 2.92386740 _cell_length_c 2.91888706 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BOs _chemical_formula_sum 'B1 Os1' _cell_volume 21.61042309 _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 Os Os1 1 1.46193370 0.84404782 1.45944353 1 [/CIF]
BOs
P-6m2
187
hexagonal
-6m2
15,447.936068
false
[CIF] data_MgInPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66003232 _cell_length_b 4.66003232 _cell_length_c 3.05316134 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgInPt _chemical_formula_sum 'Mg1 In1 Pt1' _cell_volume 57.41934626 _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 -0.00000002 2.69047093 2.50663255 1 Mg Mg1 1 0.00000000 0.00000000 1.01938108 1 Pt Pt2 1 2.33001614 1.34523547 2.58030905 1 [/CIF]
InMgPt
P3m1
156
trigonal
3m
9,665.100979
false
[CIF] data_NaZr2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86320328 _cell_length_b 4.86320328 _cell_length_c 4.86320328 _cell_angle_alpha 121.14207450 _cell_angle_beta 119.03348254 _cell_angle_gamma 89.85775576 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZr2W _chemical_formula_sum 'Na1 Zr2 W1' _cell_volume 81.18761801 _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 -0.00000000 -0.00000000 3.44307001 1 Zr Zr2 1 2.38950617 0.00000000 1.75198627 1 Zr Zr3 1 -0.00000000 2.46703777 1.69108374 1 [/CIF]
NaWZr2
Immm
71
orthorhombic
mmm
7,961.940004
false
[CIF] data_CoNiSnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34409781 _cell_length_b 4.34409781 _cell_length_c 4.34409781 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoNiSnMo _chemical_formula_sum 'Co1 Ni1 Sn1 Mo1' _cell_volume 57.96739548 _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 Mo Mo1 1 3.07174102 3.07174102 3.07174102 1 Ni Ni2 1 1.53587051 1.53587051 1.53587051 1 Sn Sn3 1 4.60761153 4.60761153 4.60761153 1 [/CIF]
CoMoNiSn
F-43m
216
cubic
-43m
9,518.997242
false
[CIF] data_YAgSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75542559 _cell_length_b 5.75542559 _cell_length_c 5.75542559 _cell_angle_alpha 133.36910079 _cell_angle_beta 133.36910079 _cell_angle_gamma 68.07508915 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAgSb2 _chemical_formula_sum 'Y1 Ag1 Sb2' _cell_volume 98.99448035 _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 4.76935410 1 Sb Sb1 1 -0.00000000 2.27795799 2.38467705 1 Sb Sb2 1 2.27795799 0.00000000 2.38467705 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgSb2Y
I4/mmm
139
tetragonal
4/mmm
7,385.517538
false
[CIF] data_CdHg2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21757200 _cell_length_b 4.46846821 _cell_length_c 5.86508173 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.40803477 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdHg2Ir _chemical_formula_sum 'Cd1 Hg2 Ir1' _cell_volume 81.29507728 _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 0.29692329 0.00000000 3.93519921 1 Hg Hg1 1 0.07794681 2.23423411 0.13396731 1 Hg Hg2 1 1.78244494 0.00000000 1.37534342 1 Ir Ir3 1 1.94037712 2.23423411 3.03690993 1 [/CIF]
CdHg2Ir
Pm
6
monoclinic
m
14,416.88472
false
[CIF] data_Ba2NbPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.17810365 _cell_length_b 10.17810365 _cell_length_c 10.17810365 _cell_angle_alpha 21.89875143 _cell_angle_beta 21.89875143 _cell_angle_gamma 21.89875143 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2NbPt _chemical_formula_sum 'Ba2 Nb1 Pt1' _cell_volume 128.56601915 _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 -0.00000000 -0.00000000 7.08929315 1 Ba Ba1 1 -0.00000000 0.00000000 22.70155947 1 Nb Nb2 1 -0.00000000 -0.00000000 -0.00000000 1 Pt Pt3 1 0.00000000 0.00000000 14.89542631 1 [/CIF]
Ba2NbPt
R-3m
166
trigonal
-3m
7,267.028871
false
[CIF] data_TlCrReTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48197800 _cell_length_b 4.48197800 _cell_length_c 4.48197800 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCrReTc _chemical_formula_sum 'Tl1 Cr1 Re1 Tc1' _cell_volume 63.66403562 _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 Re Re1 1 4.75385556 4.75385556 4.75385556 1 Tc Tc2 1 3.16923704 3.16923704 3.16923704 1 Tl Tl3 1 1.58461852 1.58461852 1.58461852 1 [/CIF]
CrReTcTl
F-43m
216
cubic
-43m
14,123.666649
false
[CIF] data_Li2ReOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28464271 _cell_length_b 5.28464271 _cell_length_c 5.28464271 _cell_angle_alpha 147.53062002 _cell_angle_beta 133.39495691 _cell_angle_gamma 57.94709988 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ReOs _chemical_formula_sum 'Li2 Re1 Os1' _cell_volume 57.11792773 _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 2.09053026 2.28691634 1 Li Li1 1 1.47744061 -0.00000000 2.33631857 1 Os Os2 1 0.00000000 0.00000000 4.62323491 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Li2OsRe
Immm
71
orthorhombic
mmm
11,347.39956
false
[CIF] data_Ge2RhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57568207 _cell_length_b 3.57568207 _cell_length_c 5.24829411 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge2RhAu _chemical_formula_sum 'Ge2 Rh1 Au1' _cell_volume 67.10207623 _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 1.78784104 1.78784104 4.11915056 1 Ge Ge1 1 0.00000000 0.00000000 5.06257462 1 Ge Ge2 1 1.78784104 1.78784104 1.56169720 1 Rh Rh3 1 0.00000000 0.00000000 2.37731296 1 [/CIF]
AuGe2Rh
P4mm
99
tetragonal
4mm
11,017.970383
false
[CIF] data_ScInB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90972894 _cell_length_b 5.90972894 _cell_length_c 5.90972894 _cell_angle_alpha 149.91621516 _cell_angle_beta 149.91621516 _cell_angle_gamma 43.06440370 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScInB _chemical_formula_sum 'Sc1 In1 B1' _cell_volume 51.72535696 _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 10.89194595 1 In In1 1 -0.00000000 0.00000000 7.05602294 1 Sc Sc2 1 0.00000000 -0.00000000 4.04122091 1 [/CIF]
BInSc
I4mm
107
tetragonal
4mm
5,476.287396
false
[CIF] data_V2InPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56086216 _cell_length_b 4.04814714 _cell_length_c 4.45404151 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2InPd _chemical_formula_sum 'V2 In1 Pd1' _cell_volume 64.20453610 _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 2.02407357 2.22702075 1 Pd Pd1 1 1.78043108 0.00000000 2.22702075 1 V V2 1 1.78043108 2.02407357 0.00000000 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InPdV2
Pmmm
47
orthorhombic
mmm
8,356.964731
false
[CIF] data_BeCr2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77388501 _cell_length_b 2.77388501 _cell_length_c 4.87069928 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCr2B _chemical_formula_sum 'Be1 Cr2 B1' _cell_volume 37.47729380 _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 2.43534964 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Cr Cr2 1 1.38694250 1.38694250 1.39122358 1 Cr Cr3 1 1.38694250 1.38694250 3.47947569 1 [/CIF]
BBeCr2
P4/mmm
123
tetragonal
4/mmm
5,485.998904
false