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_Fe2SnBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70971610 _cell_length_b 4.70971610 _cell_length_c 4.70971610 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2SnBi _chemical_formula_sum 'Fe2 Sn1 Bi1' _cell_volume 73.87018521 _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 3.33027219 3.33027219 3.33027219 1 Fe Fe1 1 1.66513609 1.66513609 1.66513609 1 Fe Fe2 1 4.99540828 4.99540829 4.99540829 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiFe2Sn
Fm-3m
225
cubic
m-3m
9,876.898471
false
[CIF] data_ZrTaHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34870574 _cell_length_b 4.34870574 _cell_length_c 4.28510105 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaHg2 _chemical_formula_sum 'Zr1 Ta1 Hg2' _cell_volume 81.03658129 _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 2.17435287 2.14255052 1 Hg Hg1 1 2.17435287 0.00000000 2.14255052 1 Ta Ta2 1 2.17435287 2.17435287 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2TaZr
P4/mmm
123
tetragonal
4/mmm
13,797.806922
false
[CIF] data_TaAs2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06472843 _cell_length_b 4.68128832 _cell_length_c 4.50072744 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAs2Ru _chemical_formula_sum 'Ta1 As2 Ru1' _cell_volume 64.57138482 _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 1.53236422 2.34064416 4.50032431 1 As As1 1 0.00000000 0.00000000 3.37251942 1 Ru Ru2 1 0.00000000 2.34064416 2.18536237 1 Ta Ta3 1 1.53236422 0.00000000 1.19361245 1 [/CIF]
As2RuTa
Pmm2
25
orthorhombic
mm2
11,105.882412
false
[CIF] data_BaSc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03566002 _cell_length_b 4.03566002 _cell_length_c 9.83047996 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSc _chemical_formula_sum 'Ba2 Sc2' _cell_volume 160.10462082 _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 2.01783001 0.00000000 6.65204396 1 Ba Ba1 1 0.00000000 2.01783001 3.17843600 1 Sc Sc2 1 2.01783001 0.00000000 0.69876723 1 Sc Sc3 1 0.00000000 2.01783001 9.13171273 1 [/CIF]
Ba2Sc2
P4/nmm
129
tetragonal
4/mmm
3,781.201166
false
[CIF] data_ScTaCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63770467 _cell_length_b 4.63770467 _cell_length_c 5.51486293 _cell_angle_alpha 98.00906897 _cell_angle_beta 98.00906897 _cell_angle_gamma 35.17887450 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTaCu2 _chemical_formula_sum 'Sc1 Ta1 Cu2' _cell_volume 67.60406036 _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 6.41416697 0.00000000 1.57285040 1 Cu Cu1 1 1.62151181 0.00000000 3.88278535 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 4.01783939 0.00000000 2.72781788 1 [/CIF]
Cu2ScTa
C2/m
12
monoclinic
2/m
8,670.533986
false
[CIF] data_LiScCrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54816699 _cell_length_b 4.54816699 _cell_length_c 4.54816699 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiScCrAu _chemical_formula_sum 'Li1 Sc1 Cr1 Au1' _cell_volume 66.52642828 _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 1.60801986 1.60801986 1.60801986 1 Cr Cr1 1 3.21603972 3.21603972 3.21603972 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 4.82405958 4.82405958 4.82405958 1 [/CIF]
AuCrLiSc
F-43m
216
cubic
-43m
7,509.6334
false
[CIF] data_Ru2RhCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38128758 _cell_length_b 4.38128758 _cell_length_c 4.38128758 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ru2RhCl _chemical_formula_sum 'Ru2 Rh1 Cl1' _cell_volume 59.46895188 _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 Rh Rh1 1 4.64705724 4.64705724 4.64705724 1 Ru Ru2 1 3.09803816 3.09803816 3.09803816 1 Ru Ru3 1 1.54901908 1.54901908 1.54901908 1 [/CIF]
ClRhRu2
F-43m
216
cubic
-43m
9,507.668178
false
[CIF] data_Sc4MnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40476412 _cell_length_b 5.40476412 _cell_length_c 5.40476412 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4MnIr _chemical_formula_sum 'Sc4 Mn1 Ir1' _cell_volume 111.63881978 _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 5.73261804 5.73261804 5.73261804 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 4.77525974 4.77525974 2.86823098 1 Sc Sc3 1 4.77525974 2.86823098 4.77525974 1 Sc Sc4 1 2.86823098 4.77525974 4.77525974 1 Sc Sc5 1 2.86823098 2.86823098 2.86823098 1 [/CIF]
IrMnSc4
F-43m
216
cubic
-43m
6,350.970046
false
[CIF] data_ZrRu2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97858363 _cell_length_b 2.97858363 _cell_length_c 7.71395775 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrRu2Cl _chemical_formula_sum 'Zr1 Ru2 Cl1' _cell_volume 68.43792800 _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 5.59580986 1 Ru Ru1 1 1.48929182 1.48929182 0.29344127 1 Ru Ru2 1 0.00000000 0.00000000 1.79655600 1 Zr Zr3 1 1.48929182 1.48929182 3.88512950 1 [/CIF]
ClRu2Zr
P4mm
99
tetragonal
4mm
7,978.229181
false
[CIF] data_Ba2LiZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93094167 _cell_length_b 5.93094167 _cell_length_c 5.93094167 _cell_angle_alpha 123.29975758 _cell_angle_beta 116.50694152 _cell_angle_gamma 90.26782924 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2LiZn _chemical_formula_sum 'Ba2 Li1 Zn1' _cell_volume 147.08972237 _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 3.12063857 2.02292332 1 Ba Ba1 1 2.81635659 0.00000000 2.16107232 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 -0.00000000 0.00000000 4.18399564 1 [/CIF]
Ba2LiZn
Immm
71
orthorhombic
mmm
3,917.102659
false
[CIF] data_TaCdNiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53758375 _cell_length_b 4.53758375 _cell_length_c 4.53758375 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCdNiMo _chemical_formula_sum 'Ta1 Cd1 Ni1 Mo1' _cell_volume 66.06310226 _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 4.81283436 4.81283436 4.81283436 1 Mo Mo1 1 1.60427812 1.60427812 1.60427812 1 Ni Ni2 1 0.00000000 -0.00000000 0.00000000 1 Ta Ta3 1 3.20855624 3.20855624 3.20855624 1 [/CIF]
CdMoNiTa
F-43m
216
cubic
-43m
11,261.080207
false
[CIF] data_LaBi2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23412346 _cell_length_b 6.23412346 _cell_length_c 6.23412346 _cell_angle_alpha 146.44064730 _cell_angle_beta 123.68589253 _cell_angle_gamma 67.17279937 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBi2W _chemical_formula_sum 'La1 Bi2 W1' _cell_volume 109.98525693 _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 1.79974284 0.00000000 3.00763928 1 Bi Bi1 1 -0.00000000 2.94182082 2.18571333 1 La La2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 -0.00000000 -0.00000000 5.19335261 1 [/CIF]
Bi2LaW
Immm
71
orthorhombic
mmm
11,183.059735
false
[CIF] data_ZnSiPb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41340363 _cell_length_b 6.41340363 _cell_length_c 6.41340363 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnSiPb4 _chemical_formula_sum 'Zn1 Si1 Pb4' _cell_volume 186.53087297 _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 3.40053721 3.40053721 5.66938519 1 Pb Pb1 1 3.40053721 5.66938519 3.40053721 1 Pb Pb2 1 5.66938519 3.40053721 3.40053721 1 Pb Pb3 1 5.66938519 5.66938519 5.66938519 1 Si Si4 1 0.00000000 0.00000000 0.00000000 1 Zn Zn5 1 2.26748060 2.26748060 2.26748060 1 [/CIF]
Pb4SiZn
F-43m
216
cubic
-43m
8,210.211361
false
[CIF] data_Co2ReMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.65080292 _cell_length_b 3.64711869 _cell_length_c 5.39025940 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2ReMo _chemical_formula_sum 'Co2 Re1 Mo1' _cell_volume 52.11191141 _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 0.00150701 1 Co Co1 1 1.32540146 1.82355935 1.29852697 1 Mo Mo2 1 0.00000000 0.00000000 2.56042723 1 Re Re3 1 1.32540146 1.82355935 4.22492790 1 [/CIF]
Co2MoRe
Pmm2
25
orthorhombic
mm2
12,747.01031
false
[CIF] data_GaAs2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.45222378 _cell_length_b 9.45222378 _cell_length_c 9.45222378 _cell_angle_alpha 18.86379598 _cell_angle_beta 18.86379598 _cell_angle_gamma 18.86379598 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAs2Au _chemical_formula_sum 'Ga1 As2 Au1' _cell_volume 77.14380274 _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 27.53515982 1 As As1 1 -0.00000000 -0.00000000 21.16504615 1 Au Au2 1 0.00000000 -0.00000000 14.05321685 1 Ga Ga3 1 -0.00000000 -0.00000000 6.85748497 1 [/CIF]
As2AuGa
R3m
160
trigonal
3m
8,965.968883
false
[CIF] data_La2MnBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79270236 _cell_length_b 5.79270236 _cell_length_c 5.79270236 _cell_angle_alpha 144.08445532 _cell_angle_beta 131.35242663 _cell_angle_gamma 61.92861044 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2MnBe _chemical_formula_sum 'La2 Mn1 Be1' _cell_volume 84.66653717 _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 6.84663300 1 La La1 1 0.00000000 2.38597180 4.78407402 1 La La2 1 0.00000000 0.00000000 2.71143675 1 Mn Mn3 1 -0.00000000 2.38597180 0.55937448 1 [/CIF]
BeLa2Mn
Imm2
44
orthorhombic
mm2
6,702.857921
false
[CIF] data_BiMoOs4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26064087 _cell_length_b 5.26064087 _cell_length_c 5.26064087 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiMoOs4 _chemical_formula_sum 'Bi1 Mo1 Os4' _cell_volume 102.94398248 _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 5.57975225 5.57975225 5.57975225 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 4.65350692 4.65350692 2.78616274 1 Os Os3 1 4.65350692 2.78616274 4.65350692 1 Os Os4 1 2.78616274 4.65350692 4.65350692 1 Os Os5 1 2.78616274 2.78616274 2.78616274 1 [/CIF]
BiMoOs4
F-43m
216
cubic
-43m
17,192.873164
false
[CIF] data_Cs3RbIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.10623109 _cell_length_b 8.10623109 _cell_length_c 8.10623109 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3RbIr _chemical_formula_sum 'Cs3 Rb1 Ir1' _cell_volume 532.66840917 _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 0.00000000 4.05311554 0.00000000 1 Cs Cs1 1 0.00000000 0.00000000 4.05311554 1 Cs Cs2 1 4.05311554 0.00000000 0.00000000 1 Ir Ir3 1 4.05311554 4.05311554 4.05311554 1 Rb Rb4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cs3IrRb
Pm-3m
221
cubic
m-3m
2,108.611144
false
[CIF] data_Sr2TlIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07883455 _cell_length_b 4.07883455 _cell_length_c 8.18137856 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2TlIn _chemical_formula_sum 'Sr2 Tl1 In1' _cell_volume 136.11270567 _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 Sr Sr1 1 2.03941727 2.03941727 2.03097184 1 Sr Sr2 1 2.03941727 2.03941727 6.15040672 1 Tl Tl3 1 0.00000000 0.00000000 4.09068928 1 [/CIF]
InSr2Tl
P4/mmm
123
tetragonal
4/mmm
6,032.053295
false
[CIF] data_La2CdTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70594677 _cell_length_b 3.70594677 _cell_length_c 7.20746173 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2CdTc _chemical_formula_sum 'La2 Cd1 Tc1' _cell_volume 98.98757824 _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 1.85297339 1.85297339 5.12843898 1 La La1 1 0.00000000 0.00000000 7.03304562 1 La La2 1 1.85297339 1.85297339 2.09142485 1 Tc Tc3 1 0.00000000 0.00000000 3.76574480 1 [/CIF]
CdLa2Tc
P4mm
99
tetragonal
4mm
8,205.23544
false
[CIF] data_Cd3SbF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70990198 _cell_length_b 5.70990198 _cell_length_c 5.70990198 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd3SbF _chemical_formula_sum 'Cd3 Sb1 F1' _cell_volume 186.15982360 _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 2.85495099 2.85495099 2.85495099 1 F F1 1 0.00000000 0.00000000 0.00000000 1 Cd Cd2 1 2.85495099 0.00000000 2.85495099 1 Cd Cd3 1 2.85495099 2.85495099 0.00000000 1 Cd Cd4 1 0.00000000 2.85495099 2.85495099 1 [/CIF]
Cd3FSb
Pm-3m
221
cubic
m-3m
4,263.666473
false
[CIF] data_TaBe2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78368089 _cell_length_b 4.78368089 _cell_length_c 4.78368089 _cell_angle_alpha 137.07123338 _cell_angle_beta 137.07123338 _cell_angle_gamma 62.32846804 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBe2V _chemical_formula_sum 'Ta1 Be2 V1' _cell_volume 50.16960277 _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 1.75045782 2.04666789 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.75045782 -0.00000000 2.04666789 1 V V3 1 -0.00000000 -0.00000000 4.09333577 1 [/CIF]
Be2TaV
I-4m2
119
tetragonal
-42m
8,271.772394
false
[CIF] data_TaNb2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90669685 _cell_length_b 4.56510903 _cell_length_c 5.44104830 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNb2Cl _chemical_formula_sum 'Ta1 Nb2 Cl1' _cell_volume 72.19938122 _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 4.18679972 1 Nb Nb1 1 1.45334842 2.28255452 0.00549149 1 Nb Nb2 1 0.00000000 0.00000000 1.37538356 1 Ta Ta3 1 1.45334842 2.28255452 2.59389768 1 [/CIF]
ClNb2Ta
Pmm2
25
orthorhombic
mm2
9,250.653552
false
[CIF] data_CdHg4B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97244350 _cell_length_b 5.97244350 _cell_length_c 5.97244350 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdHg4B _chemical_formula_sum 'Cd1 Hg4 B1' _cell_volume 150.64029321 _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 2.11157765 2.11157765 2.11157765 1 Hg Hg2 1 3.16299683 3.16299683 5.28331377 1 Hg Hg3 1 3.16299683 5.28331377 3.16299683 1 Hg Hg4 1 5.28331377 3.16299683 3.16299683 1 Hg Hg5 1 5.28331377 5.28331377 5.28331377 1 [/CIF]
BCdHg4
F-43m
216
cubic
-43m
10,202.881563
false
[CIF] data_LiY2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48961725 _cell_length_b 3.48961725 _cell_length_c 7.89662647 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiY2Tc _chemical_formula_sum 'Li1 Y2 Tc1' _cell_volume 96.16060464 _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 Tc Tc1 1 0.00000000 0.00000000 3.94831324 1 Y Y2 1 1.74480862 1.74480862 5.57278694 1 Y Y3 1 1.74480862 1.74480862 2.32383953 1 [/CIF]
LiTcY2
P4/mmm
123
tetragonal
4/mmm
4,898.333229
false
[CIF] data_Na2ZnPHO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.49657895 _cell_length_b 9.83608700 _cell_length_c 5.75065059 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.25640003 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2ZnPHO5 _chemical_formula_sum 'Na8 Zn4 P4 H4 O20' _cell_volume 463.66231504 _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 H H0 1 3.63793036 3.72203994 0.75593872 1 H H1 1 4.10203842 8.64008344 2.01805417 1 H H2 1 2.88132019 1.19600356 3.52993162 1 H H3 1 3.34542825 6.11404706 4.79204707 1 Na Na4 1 7.29978793 6.61412995 0.78527392 1 Na Na5 1 6.50554250 3.52539001 1.01573808 1 Na Na6 1 1.23442628 8.44343351 1.75825482 1 Na Na7 1 0.44018086 1.69608645 1.98871898 1 Na Na8 1 6.54317776 8.14000055 3.55926682 1 Na Na9 1 5.74893233 1.39265349 3.78973098 1 Na Na10 1 0.47781611 6.31069699 4.53224771 1 Na Na11 1 -0.31642931 3.22195705 4.76271188 1 O O12 1 4.27734317 3.06121995 0.37281713 1 O O13 1 7.12504868 1.34228997 0.64385027 1 O O14 1 2.08309435 0.67501003 0.68926963 1 O O15 1 0.28957593 3.88002993 1.18727565 1 O O16 1 2.58139378 4.88340995 1.31547756 1 O O17 1 5.15857500 9.80145345 1.45851534 1 O O18 1 7.45039285 8.79807343 1.58671725 1 O O19 1 5.65687443 5.59305353 2.08472327 1 O O20 1 0.61492010 6.26033347 2.13014263 1 O O21 1 3.46262562 7.97926345 2.40117577 1 O O22 1 3.52073300 1.85682355 3.14681003 1 O O23 1 6.36843851 3.57575353 3.41784317 1 O O24 1 1.32648418 4.24303347 3.46326253 1 O O25 1 -0.46703424 1.03801357 3.96126854 1 O O26 1 1.82478361 0.03463355 4.08947046 1 O O27 1 4.40196484 4.95267705 4.23250824 1 O O28 1 6.69378268 5.95605707 4.36071015 1 O O29 1 4.90026427 9.16107697 4.85871616 1 O O30 1 -0.14169006 8.49379703 4.90413553 1 O O31 1 2.70601545 6.77486705 5.17516867 1 P P32 1 6.57864460 9.75463987 0.76399135 1 P P33 1 1.16132419 4.83659637 2.01000155 1 P P34 1 5.82203443 4.99949063 3.53798425 1 P P35 1 0.40471402 0.08144713 4.78399445 1 Zn Zn36 1 3.83254899 1.39474996 1.24179809 1 Zn Zn37 1 3.90741979 6.31279346 1.53219481 1 Zn Zn38 1 3.07593883 3.52329354 4.01579099 1 Zn Zn39 1 3.15080962 8.44133704 4.30618771 1 [/CIF]
H4Na8O20P4Zn4
P2_1/c
14
monoclinic
2/m
3,199.413552
false
[CIF] data_Zn3Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11579145 _cell_length_b 6.11579145 _cell_length_c 4.65772018 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn3Te _chemical_formula_sum 'Zn6 Te2' _cell_volume 150.87224803 _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 Te Te0 1 3.05789573 1.76547692 3.49329014 1 Te Te1 1 -0.00000000 3.53095384 1.16443005 1 Zn Zn2 1 4.73312965 0.79828016 1.16443005 1 Zn Zn3 1 1.38266180 0.79828016 1.16443005 1 Zn Zn4 1 3.05789573 3.69987043 1.16443005 1 Zn Zn5 1 -1.67523392 4.49815060 3.49329014 1 Zn Zn6 1 1.67523392 4.49815060 3.49329014 1 Zn Zn7 1 0.00000000 1.59656033 3.49329014 1 [/CIF]
Te2Zn6
P6_3/mmc
194
hexagonal
6/mmm
7,126.332777
false
[CIF] data_NaPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69890770 _cell_length_b 4.69890770 _cell_length_c 8.12113788 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaPd _chemical_formula_sum 'Na4 Pd4' _cell_volume 155.28923255 _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 Na Na0 1 0.00000000 0.00000000 2.03028447 1 Na Na1 1 0.00000000 0.00000000 6.09085341 1 Na Na2 1 2.34945385 1.35645781 6.09085341 1 Na Na3 1 0.00000000 2.71291562 2.03028447 1 Pd Pd4 1 2.34945385 1.35645781 0.65446082 1 Pd Pd5 1 0.00000000 2.71291562 4.71502976 1 Pd Pd6 1 0.00000000 2.71291562 7.46667706 1 Pd Pd7 1 2.34945385 1.35645781 3.40610812 1 [/CIF]
Na4Pd4
P6_3/mmc
194
hexagonal
6/mmm
5,535.218999
false
[CIF] data_Na2FeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70298455 _cell_length_b 3.50472394 _cell_length_c 8.32100589 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2FeRu _chemical_formula_sum 'Na2 Fe1 Ru1' _cell_volume 78.82667500 _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 5.69321309 1 Na Na1 1 1.35149228 1.75236197 7.81461685 1 Na Na2 1 0.00000000 0.00000000 2.53948929 1 Ru Ru3 1 1.35149228 1.75236197 4.75519550 1 [/CIF]
FeNa2Ru
Pmm2
25
orthorhombic
mm2
4,274.115427
false
[CIF] data_MgAgP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11537406 _cell_length_b 3.11537406 _cell_length_c 6.34937155 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAgP _chemical_formula_sum 'Mg1 Ag1 P1' _cell_volume 53.36810385 _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 1.55768705 0.89933102 6.31032387 1 Mg Mg1 1 0.00000000 0.00000000 2.19662172 1 P P2 1 0.00000002 1.79866204 4.19179745 1 [/CIF]
AgMgP
P3m1
156
trigonal
3m
5,076.28873
false
[CIF] data_TlNiAg4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49137790 _cell_length_b 5.49137790 _cell_length_c 5.49137790 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlNiAg4 _chemical_formula_sum 'Tl1 Ni1 Ag4' _cell_volume 117.09247787 _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 4.85669273 2.90928837 2.90928837 1 Ag Ag1 1 2.90928837 2.90928837 4.85669273 1 Ag Ag2 1 2.90928837 4.85669273 2.90928837 1 Ag Ag3 1 4.85669273 4.85669273 4.85669273 1 Ni Ni4 1 0.00000000 0.00000000 0.00000000 1 Tl Tl5 1 1.94149528 1.94149528 1.94149528 1 [/CIF]
Ag4NiTl
F-43m
216
cubic
-43m
9,849.706825
false
[CIF] data_SbAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33193115 _cell_length_b 6.33193115 _cell_length_c 4.16163666 _cell_angle_alpha 91.04099745 _cell_angle_beta 91.04099745 _cell_angle_gamma 38.34896017 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbAs _chemical_formula_sum 'Sb2 As2' _cell_volume 103.50529031 _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 As As0 1 10.16881159 -0.00000000 3.15040242 1 As As1 1 1.71244572 0.00000000 1.01046430 1 Sb Sb2 1 4.40108330 0.00000000 1.08718311 1 Sb Sb3 1 7.48017401 0.00000000 3.07368361 1 [/CIF]
As2Sb2
C2/m
12
monoclinic
2/m
6,310.739857
false
[CIF] data_LiLaOsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73355569 _cell_length_b 4.73355569 _cell_length_c 4.73355569 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaOsW _chemical_formula_sum 'Li1 La1 Os1 W1' _cell_volume 74.99761903 _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 1.67356467 1.67356467 1.67356467 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 3.34712933 3.34712933 3.34712933 1 W W3 1 5.02069400 5.02069400 5.02069400 1 [/CIF]
LaLiOsW
F-43m
216
cubic
-43m
11,511.586914
false
[CIF] data_ScTaFePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45057007 _cell_length_b 4.45057007 _cell_length_c 4.45057007 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTaFePt _chemical_formula_sum 'Sc1 Ta1 Fe1 Pt1' _cell_volume 62.33499551 _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 3.14702828 3.14702828 3.14702828 1 Pt Pt1 1 1.57351414 1.57351414 1.57351414 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 4.72054242 4.72054242 4.72054242 1 [/CIF]
FePtScTa
F-43m
216
cubic
-43m
12,702.326726
false
[CIF] data_RbPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11599175 _cell_length_b 6.11599175 _cell_length_c 6.11599175 _cell_angle_alpha 134.19201441 _cell_angle_beta 122.98956045 _cell_angle_gamma 76.02187706 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbPt _chemical_formula_sum 'Rb2 Pt2' _cell_volume 133.91319844 _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 Pt Pt0 1 2.38027148 -1.45939435 2.75365966 1 Pt Pt1 1 0.00000000 4.37818304 2.06508866 1 Rb Rb2 1 -0.00000000 1.45939435 3.88692267 1 Rb Rb3 1 2.38027148 1.45939435 0.93182565 1 [/CIF]
Pt2Rb2
Imma
74
orthorhombic
mmm
6,957.749192
false
[CIF] data_VHgAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18965254 _cell_length_b 3.18965254 _cell_length_c 7.91080124 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VHgAs2 _chemical_formula_sum 'V1 Hg1 As2' _cell_volume 80.48356883 _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 1.59482627 1.59482627 1.33750670 1 As As1 1 1.59482627 1.59482627 6.57329454 1 Hg Hg2 1 0.00000000 0.00000000 3.95540062 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2HgV
P4/mmm
123
tetragonal
4/mmm
8,281.173156
false
[CIF] data_HfMnAg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19872287 _cell_length_b 5.19872287 _cell_length_c 5.19872287 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMnAg3 _chemical_formula_sum 'Hf1 Mn1 Ag3' _cell_volume 140.50442466 _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 Hf Hf1 1 2.59936144 2.59936144 2.59936144 1 Ag Ag2 1 2.59936144 0.00000000 2.59936144 1 Ag Ag3 1 2.59936144 2.59936144 0.00000000 1 Ag Ag4 1 0.00000000 2.59936144 2.59936144 1 [/CIF]
Ag3HfMn
Pm-3m
221
cubic
m-3m
6,583.240853
false
[CIF] data_Sc2SnAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93539860 _cell_length_b 4.93539860 _cell_length_c 3.58604691 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 101.98437930 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2SnAs _chemical_formula_sum 'Sc2 Sn1 As1' _cell_volume 85.44565380 _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 Sc Sc1 1 1.55323489 1.91755083 1.79302345 1 Sc Sc2 1 1.55323489 -1.91755083 1.79302345 1 Sn Sn3 1 3.10646979 -0.00000000 0.00000000 1 [/CIF]
AsSc2Sn
Cmmm
65
orthorhombic
mmm
5,510.343847
false
[CIF] data_TcMo2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80829761 _cell_length_b 4.80829761 _cell_length_c 4.80829761 _cell_angle_alpha 131.68102041 _cell_angle_beta 131.68102041 _cell_angle_gamma 70.73328942 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcMo2Os _chemical_formula_sum 'Tc1 Mo2 Os1' _cell_volume 60.74018974 _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 1.96793057 0.00000000 1.96049895 1 Mo Mo1 1 0.00000000 1.96793057 1.96049895 1 Os Os2 1 0.00000000 -0.00000000 3.92099789 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2OsTc
I4/mmm
139
tetragonal
4/mmm
13,151.302569
false
[CIF] data_NaNiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.59124907 _cell_length_b 2.59124907 _cell_length_c 6.50565069 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNiB2 _chemical_formula_sum 'Na1 Ni1 B2' _cell_volume 43.68265829 _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 0.14114595 1 B B1 1 1.29562453 1.29562453 1.00636190 1 Na Na2 1 0.00000000 0.00000000 3.06040602 1 Ni Ni3 1 1.29562453 1.29562453 5.55056216 1 [/CIF]
B2NaNi
P4mm
99
tetragonal
4mm
3,927.010765
false
[CIF] data_MgVNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08668663 _cell_length_b 4.08668663 _cell_length_c 4.08668663 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgVNi _chemical_formula_sum 'Mg1 V1 Ni1' _cell_volume 48.26129973 _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 0.00000000 1 Ni Ni1 1 4.33458575 4.33458575 4.33458575 1 V V2 1 2.88972383 2.88972383 2.88972383 1 [/CIF]
MgNiV
F-43m
216
cubic
-43m
4,608.504905
false
[CIF] data_MnTlZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69415415 _cell_length_b 4.69415415 _cell_length_c 4.69415415 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTlZn2 _chemical_formula_sum 'Mn1 Tl1 Zn2' _cell_volume 73.14035150 _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 Tl Tl1 1 3.31926823 3.31926823 3.31926823 1 Zn Zn2 1 1.65963412 1.65963412 1.65963412 1 Zn Zn3 1 4.97890235 4.97890235 4.97890234 1 [/CIF]
MnTlZn2
Fm-3m
225
cubic
m-3m
8,856.19633
false
[CIF] data_Ti2InPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63227185 _cell_length_b 4.63227185 _cell_length_c 4.63227185 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2InPd _chemical_formula_sum 'Ti2 In1 Pd1' _cell_volume 70.28572328 _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 1.63775542 1.63775542 1.63775542 1 Ti Ti1 1 4.91326626 4.91326626 4.91326626 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 In In3 1 3.27551084 3.27551084 3.27551084 1 [/CIF]
InPdTi2
Fm-3m
225
cubic
m-3m
7,488.638722
false
[CIF] data_TiMoIrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45587598 _cell_length_b 4.45587598 _cell_length_c 4.45587598 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMoIrPd _chemical_formula_sum 'Ti1 Mo1 Ir1 Pd1' _cell_volume 62.55820595 _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 1.57539006 1.57539006 1.57539006 1 Mo Mo1 1 3.15078012 3.15078012 3.15078012 1 Pd Pd2 1 4.72617018 4.72617018 4.72617018 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrMoPdTi
F-43m
216
cubic
-43m
11,744.722318
false
[CIF] data_LaTaGaW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84907748 _cell_length_b 4.84907748 _cell_length_c 4.84907748 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTaGaW _chemical_formula_sum 'La1 Ta1 Ga1 W1' _cell_volume 80.62363466 _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 0.00000000 0.00000000 0.00000000 1 La La1 1 5.14322336 5.14322336 5.14322335 1 Ta Ta2 1 3.42881557 3.42881557 3.42881557 1 W W3 1 1.71440778 1.71440779 1.71440778 1 [/CIF]
GaLaTaW
F-43m
216
cubic
-43m
11,810.187603
false
[CIF] data_LiGeBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44187642 _cell_length_b 3.44187642 _cell_length_c 7.73426824 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiGeBr2 _chemical_formula_sum 'Li1 Ge1 Br2' _cell_volume 91.62411150 _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 1.72093821 1.72093821 1.68772035 1 Br Br1 1 1.72093821 1.72093821 6.04654789 1 Ge Ge2 1 0.00000000 0.00000000 3.86713412 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2GeLi
P4/mmm
123
tetragonal
4/mmm
4,338.53906
false
[CIF] data_TaFe2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07972135 _cell_length_b 3.07972135 _cell_length_c 7.21558293 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaFe2Pb _chemical_formula_sum 'Ta1 Fe2 Pb1' _cell_volume 68.43752103 _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 1.53986067 1.53986067 0.12672887 1 Fe Fe1 1 0.00000000 0.00000000 1.37982921 1 Pb Pb2 1 1.53986067 1.53986067 3.45219781 1 Ta Ta3 1 0.00000000 0.00000000 5.86461843 1 [/CIF]
Fe2PbTa
P4mm
99
tetragonal
4mm
12,127.854927
false
[CIF] data_Sc2MoP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.33325609 _cell_length_b 8.33325609 _cell_length_c 8.33325609 _cell_angle_alpha 23.47887720 _cell_angle_beta 23.47887720 _cell_angle_gamma 23.47887720 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2MoP _chemical_formula_sum 'Sc2 Mo1 P1' _cell_volume 80.66207047 _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 12.64444256 1 P P1 1 0.00000000 -0.00000000 5.88276817 1 Sc Sc2 1 0.00000000 -0.00000000 23.72423248 1 Sc Sc3 1 0.00000000 0.00000000 18.49865843 1 [/CIF]
MoPSc2
R3m
160
trigonal
3m
4,464.06303
false
[CIF] data_GaCoSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47042766 _cell_length_b 3.47042766 _cell_length_c 5.29302931 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCoSb _chemical_formula_sum 'Ga1 Co1 Sb1' _cell_volume 55.20786108 _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 0.02967653 1 Ga Ga1 1 0.00000000 2.00365234 1.44825497 1 Sb Sb2 1 1.73521383 1.00182617 3.81509781 1 [/CIF]
CoGaSb
P3m1
156
trigonal
3m
7,532.004794
false
[CIF] data_Y2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80378137 _cell_length_b 5.80378137 _cell_length_c 5.80378137 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2Ir _chemical_formula_sum 'Y4 Ir2' _cell_volume 138.23503709 _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 Ir Ir0 1 2.05194658 2.05194658 2.05194658 1 Ir Ir1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 5.12986645 3.07791987 3.07791987 1 Y Y3 1 3.07791987 5.12986645 3.07791987 1 Y Y4 1 3.07791987 3.07791987 5.12986645 1 Y Y5 1 5.12986645 5.12986645 5.12986645 1 [/CIF]
Ir2Y4
Fd-3m
227
cubic
m-3m
8,889.889641
false
[CIF] data_MgZnCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72823054 _cell_length_b 4.25739208 _cell_length_c 5.00337588 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.80178691 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZnCu2 _chemical_formula_sum 'Mg1 Zn1 Cu2' _cell_volume 57.08523163 _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 1.60150534 0.00000000 4.85815576 1 Cu Cu1 1 2.11660681 2.12869604 1.23006363 1 Mg Mg2 1 0.90447956 0.00000000 2.32911268 1 Zn Zn3 1 -0.14624640 2.12869604 3.86947561 1 [/CIF]
Cu2MgZn
Pm
6
monoclinic
m
6,305.77589
false
[CIF] data_Li2CdRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.61747204 _cell_length_b 4.69968842 _cell_length_c 5.23240932 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.65913276 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CdRe _chemical_formula_sum 'Li2 Cd1 Re1' _cell_volume 64.23423675 _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 0.00000000 0.00000000 0.00000000 1 Li Li1 1 1.97607366 2.34984421 1.49222660 1 Li Li2 1 0.30746334 2.34984421 3.72951590 1 Re Re3 1 1.14176850 0.00000000 2.61087125 1 [/CIF]
CdLi2Re
P2/m
10
monoclinic
2/m
8,078.533888
false
[CIF] data_CaRe2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57693034 _cell_length_b 5.57693034 _cell_length_c 5.57693034 _cell_angle_alpha 138.17200160 _cell_angle_beta 138.17200160 _cell_angle_gamma 60.63967208 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaRe2Sb _chemical_formula_sum 'Ca1 Re2 Sb1' _cell_volume 76.31710062 _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 Re Re1 1 1.99077588 -0.00000000 2.40706122 1 Re Re2 1 0.00000000 1.99077588 2.40706122 1 Sb Sb3 1 0.00000000 0.00000000 4.81412243 1 [/CIF]
CaRe2Sb
I4/mmm
139
tetragonal
4/mmm
11,624.476169
false
[CIF] data_Hf2NbHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03489830 _cell_length_b 5.00678967 _cell_length_c 5.53176070 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.18616155 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2NbHg _chemical_formula_sum 'Hf2 Nb1 Hg1' _cell_volume 82.97761689 _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 -0.79187391 2.50339483 5.39420452 1 Hf Hf1 1 2.02031351 0.00000000 1.30931456 1 Hg Hg2 1 1.01680823 2.50339483 2.72633419 1 Nb Nb3 1 0.09933571 0.00000000 4.22218430 1 [/CIF]
Hf2HgNb
Pm
6
monoclinic
m
13,017.262744
false
[CIF] data_AlTcHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25569889 _cell_length_b 3.35016641 _cell_length_c 6.90291305 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.38495392 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTcHg2 _chemical_formula_sum 'Al1 Tc1 Hg2' _cell_volume 75.28929176 _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 1.62848675 0.00000000 2.10811214 1 Hg Hg1 1 3.20302466 1.67508321 0.16252528 1 Hg Hg2 1 1.60648473 0.00000000 4.98105738 1 Tc Tc3 1 0.00383416 1.67508321 3.10244100 1 [/CIF]
AlHg2Tc
Pm
6
monoclinic
m
11,624.715152
false
[CIF] data_KHf2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40631122 _cell_length_b 6.40631122 _cell_length_c 6.40631122 _cell_angle_alpha 152.60925171 _cell_angle_beta 130.77761046 _cell_angle_gamma 57.24727809 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHf2Be _chemical_formula_sum 'K1 Hf2 Be1' _cell_volume 91.02315812 _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 Hf Hf1 1 -0.00000000 2.66796235 3.33864328 1 Hf Hf2 1 1.51675636 0.00000000 2.28472319 1 K K3 1 0.00000000 0.00000000 5.62336647 1 [/CIF]
BeHf2K
Immm
71
orthorhombic
mmm
7,390.081654
false
[CIF] data_TlInRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72706456 _cell_length_b 6.72706456 _cell_length_c 6.72706456 _cell_angle_alpha 152.36422740 _cell_angle_beta 152.36422740 _cell_angle_gamma 39.48164672 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlInRh _chemical_formula_sum 'Tl1 In1 Rh1' _cell_volume 65.37841582 _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 12.26539605 1 Rh Rh1 1 0.00000000 -0.00000000 4.33574397 1 Tl Tl2 1 0.00000000 -0.00000000 8.72572326 1 [/CIF]
InRhTl
I4mm
107
tetragonal
4mm
10,721.954847
false
[CIF] data_Ca2AlMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05294488 _cell_length_b 5.05294488 _cell_length_c 5.05294488 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2AlMo _chemical_formula_sum 'Ca2 Al1 Mo1' _cell_volume 91.22601090 _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 Ca Ca1 1 3.57297159 3.57297159 3.57297159 1 Ca Ca2 1 1.78648580 1.78648580 1.78648580 1 Mo Mo3 1 5.35945739 5.35945739 5.35945739 1 [/CIF]
AlCa2Mo
F-43m
216
cubic
-43m
3,696.87761
false
[CIF] data_NaSrMgAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36370746 _cell_length_b 5.36370746 _cell_length_c 5.36370746 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrMgAl _chemical_formula_sum 'Na1 Sr1 Mg1 Al1' _cell_volume 109.11394364 _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 3.79271392 3.79271392 3.79271392 1 Mg Mg1 1 1.89635696 1.89635696 1.89635696 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 5.68907088 5.68907088 5.68907088 1 [/CIF]
AlMgNaSr
F-43m
216
cubic
-43m
2,463.801921
false
[CIF] data_La2SiSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29275763 _cell_length_b 5.29275763 _cell_length_c 5.29275763 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2SiSe _chemical_formula_sum 'La2 Si1 Se1' _cell_volume 104.84096806 _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 5.61381722 5.61381722 5.61381722 1 La La1 1 1.87127240 1.87127240 1.87127241 1 Se Se2 1 3.74254481 3.74254481 3.74254481 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2SeSi
Fm-3m
225
cubic
m-3m
6,095.605234
false
[CIF] data_BaSrTaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38969900 _cell_length_b 5.38969900 _cell_length_c 5.38969900 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrTaAu _chemical_formula_sum 'Ba1 Sr1 Ta1 Au1' _cell_volume 110.70788062 _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 5.71663906 5.71663907 5.71663906 1 Ba Ba1 1 1.90554636 1.90554636 1.90554636 1 Sr Sr2 1 0.00000000 -0.00000000 0.00000000 1 Ta Ta3 1 3.81109271 3.81109271 3.81109271 1 [/CIF]
AuBaSrTa
F-43m
216
cubic
-43m
9,042.490762
false
[CIF] data_LiNi2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19725567 _cell_length_b 4.19725567 _cell_length_c 4.19725567 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNi2Ag _chemical_formula_sum 'Li1 Ni2 Ag1' _cell_volume 52.28550139 _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 2.96790795 2.96790795 2.96790795 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 4.45186192 4.45186192 4.45186192 1 Ni Ni3 1 1.48395398 1.48395398 1.48395398 1 [/CIF]
AgLiNi2
Fm-3m
225
cubic
m-3m
7,374.329764
false
[CIF] data_HfTl2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42420837 _cell_length_b 3.42420837 _cell_length_c 8.79548069 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTl2Se _chemical_formula_sum 'Hf1 Tl2 Se1' _cell_volume 103.12879623 _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 1.71210419 1.71210419 4.73015015 1 Se Se1 1 0.00000000 0.00000000 5.97904684 1 Tl Tl2 1 1.71210419 1.71210419 8.77137157 1 Tl Tl3 1 0.00000000 0.00000000 2.50813326 1 [/CIF]
HfSeTl2
P4mm
99
tetragonal
4mm
10,727.156057
false
[CIF] data_InRuPtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59024020 _cell_length_b 4.59024020 _cell_length_c 4.59024020 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InRuPtAu _chemical_formula_sum 'In1 Ru1 Pt1 Au1' _cell_volume 68.38978482 _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 3.24578997 3.24578997 3.24578997 1 In In1 1 1.62289499 1.62289499 1.62289499 1 Pt Pt2 1 4.86868496 4.86868496 4.86868496 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuInPtRu
F-43m
216
cubic
-43m
14,761.060391
false
[CIF] data_V2AsOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30522884 _cell_length_b 4.30522884 _cell_length_c 3.04519821 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2AsOs _chemical_formula_sum 'V2 As1 Os1' _cell_volume 56.44273471 _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 Os Os1 1 2.15261442 2.15261442 0.00000000 1 V V2 1 2.15261442 0.00000000 1.52259911 1 V V3 1 0.00000000 2.15261442 1.52259911 1 [/CIF]
AsOsV2
P4/mmm
123
tetragonal
4/mmm
10,798.11769
false
[CIF] data_ScNbRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80690584 _cell_length_b 2.80690584 _cell_length_c 8.58119909 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNbRu2 _chemical_formula_sum 'Sc1 Nb1 Ru2' _cell_volume 67.60886828 _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 1.40345292 1.40345292 6.62079833 1 Ru Ru1 1 0.00000000 0.00000000 0.25372237 1 Ru Ru2 1 1.40345292 1.40345292 1.91826338 1 Sc Sc3 1 0.00000000 0.00000000 4.07901455 1 [/CIF]
NbRu2Sc
P4mm
99
tetragonal
4mm
8,350.78449
false
[CIF] data_BaTiZnIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25405678 _cell_length_b 5.25405678 _cell_length_c 5.25405678 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTiZnIn _chemical_formula_sum 'Ba1 Ti1 Zn1 In1' _cell_volume 102.55793989 _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 5.57276877 5.57276877 5.57276877 1 In In1 1 1.85758959 1.85758959 1.85758959 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 3.71517918 3.71517918 3.71517918 1 [/CIF]
BaInTiZn
F-43m
216
cubic
-43m
5,916.145462
false
[CIF] data_AlVCuHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49327119 _cell_length_b 4.49327119 _cell_length_c 4.49327119 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlVCuHg _chemical_formula_sum 'Al1 V1 Cu1 Hg1' _cell_volume 64.14648982 _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 Cu Cu1 1 4.76583379 4.76583379 4.76583379 1 Hg Hg2 1 1.58861127 1.58861127 1.58861126 1 V V3 1 3.17722253 3.17722253 3.17722253 1 [/CIF]
AlCuHgV
F-43m
216
cubic
-43m
8,854.769735
false
[CIF] data_NbZnRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90617725 _cell_length_b 3.53119969 _cell_length_c 5.83800950 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbZnRh2 _chemical_formula_sum 'Nb1 Zn1 Rh2' _cell_volume 59.91135938 _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 2.91900475 1 Rh Rh1 1 1.45308863 1.76559984 4.42383530 1 Rh Rh2 1 1.45308863 1.76559984 1.41417420 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbRh2Zn
Pmmm
47
orthorhombic
mmm
10,091.540733
false
[CIF] data_Ba2ZrV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39596958 _cell_length_b 4.91536531 _cell_length_c 5.53365084 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2ZrV _chemical_formula_sum 'Ba2 Zr1 V1' _cell_volume 119.57000057 _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 2.19798479 0.00000000 2.76682542 1 Ba Ba1 1 0.00000000 2.45768265 2.76682542 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 2.19798479 2.45768265 0.00000000 1 [/CIF]
Ba2VZr
Pmmm
47
orthorhombic
mmm
5,788.618049
false
[CIF] data_Ir2RuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46454675 _cell_length_b 4.46454675 _cell_length_c 4.46454675 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ir2RuAu _chemical_formula_sum 'Ir2 Ru1 Au1' _cell_volume 62.92411649 _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 3.15691128 3.15691128 3.15691128 1 Ir Ir1 1 4.73536692 4.73536692 4.73536692 1 Ir Ir2 1 1.57845564 1.57845564 1.57845564 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuIr2Ru
Fm-3m
225
cubic
m-3m
18,010.090644
false
[CIF] data_AlTl2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65666992 _cell_length_b 3.65666992 _cell_length_c 7.18369223 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTl2Au _chemical_formula_sum 'Al1 Tl2 Au1' _cell_volume 96.05483628 _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 Au Au1 1 0.00000000 0.00000000 3.59184612 1 Tl Tl2 1 1.82833496 1.82833496 5.34422493 1 Tl Tl3 1 1.82833496 1.82833496 1.83946730 1 [/CIF]
AlAuTl2
P4/mmm
123
tetragonal
4/mmm
10,937.99678
false
[CIF] data_ScSbTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97624354 _cell_length_b 5.97624354 _cell_length_c 5.97624354 _cell_angle_alpha 143.20738353 _cell_angle_beta 143.20738353 _cell_angle_gamma 53.01419685 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSbTe _chemical_formula_sum 'Sc1 Sb1 Te1' _cell_volume 76.09390721 _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 10.49286632 1 Sc Sc1 1 -0.00000000 0.00000000 3.48193403 1 Te Te2 1 0.00000000 0.00000000 7.41726081 1 [/CIF]
SbScTe
I4mm
107
tetragonal
4mm
6,422.630769
false
[CIF] data_Nb3ReP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85286926 _cell_length_b 4.85286926 _cell_length_c 4.85286926 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3ReP _chemical_formula_sum 'Nb3 Re1 P1' _cell_volume 114.28672131 _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 2.42643463 2.42643463 2.42643463 1 Nb Nb1 1 2.42643463 0.00000000 2.42643463 1 Nb Nb2 1 2.42643463 2.42643463 0.00000000 1 Nb Nb3 1 0.00000000 2.42643463 2.42643463 1 P P4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb3PRe
Pm-3m
221
cubic
m-3m
7,205.221665
false
[CIF] data_ZnCd2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42709972 _cell_length_b 5.42709972 _cell_length_c 5.42709972 _cell_angle_alpha 138.75609076 _cell_angle_beta 115.47229921 _cell_angle_gamma 79.51462334 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCd2Se _chemical_formula_sum 'Zn1 Cd2 Se1' _cell_volume 92.41405037 _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 0.00000000 2.89708863 2.10861744 1 Cd Cd1 1 1.91142616 -0.00000000 2.06352096 1 Se Se2 1 0.00000000 -0.00000000 4.17213840 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2SeZn
Immm
71
orthorhombic
mmm
6,633.276222
false
[CIF] data_SrCa(CoO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.65934900 _cell_length_b 7.65934900 _cell_length_c 7.65747900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCa(CoO3)2 _chemical_formula_sum 'Sr4 Ca4 Co8 O24' _cell_volume 449.23080757 _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 Sr Sr0 1 3.82967450 0.00000000 0.00000000 1 Sr Sr1 1 3.82967450 3.82967450 0.00000000 1 Sr Sr2 1 0.00000000 3.82967450 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 3.82873950 1 Ca Ca4 1 3.82967450 0.00000000 3.82873950 1 Ca Ca5 1 3.82967450 3.82967450 3.82873950 1 Ca Ca6 1 0.00000000 0.00000000 0.00000000 1 Ca Ca7 1 0.00000000 3.82967450 3.82873950 1 Co Co8 1 5.74460366 1.91474534 1.91983719 1 Co Co9 1 5.74460366 5.74460366 1.91983719 1 Co Co10 1 5.74460366 1.91474534 5.73764181 1 Co Co11 1 5.74460366 5.74460366 5.73764181 1 Co Co12 1 1.91474534 1.91474534 1.91983719 1 Co Co13 1 1.91474534 5.74460366 1.91983719 1 Co Co14 1 1.91474534 1.91474534 5.73764181 1 Co Co15 1 1.91474534 5.74460366 5.73764181 1 O O16 1 3.82967450 1.91475300 1.93577240 1 O O17 1 3.82967450 5.74459600 1.93577240 1 O O18 1 3.82967450 1.91475300 5.72170660 1 O O19 1 3.82967450 5.74459600 5.72170660 1 O O20 1 0.00000000 1.91462279 1.91509721 1 O O21 1 0.00000000 5.74472621 1.91509721 1 O O22 1 0.00000000 1.91462279 5.74238179 1 O O23 1 0.00000000 5.74472621 5.74238179 1 O O24 1 5.75500506 1.90434394 0.00000000 1 O O25 1 5.75500506 5.75500506 0.00000000 1 O O26 1 5.73434013 1.92500887 3.82873950 1 O O27 1 5.73434013 5.73434013 3.82873950 1 O O28 1 1.90434394 1.90434394 0.00000000 1 O O29 1 1.90434394 5.75500506 0.00000000 1 O O30 1 1.92500887 1.92500887 3.82873950 1 O O31 1 1.92500887 5.73434013 3.82873950 1 O O32 1 5.74472621 0.00000000 1.91509721 1 O O33 1 5.74459600 3.82967450 1.93577240 1 O O34 1 5.74472621 0.00000000 5.74238179 1 O O35 1 5.74459600 3.82967450 5.72170660 1 O O36 1 1.91462279 0.00000000 1.91509721 1 O O37 1 1.91475300 3.82967450 1.93577240 1 O O38 1 1.91462279 0.00000000 5.74238179 1 O O39 1 1.91475300 3.82967450 5.72170660 1 [/CIF]
Ca4Co8O24Sr4
P4/mmm
123
tetragonal
4/mmm
5,050.18824
false
[CIF] data_ReNi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92149056 _cell_length_b 2.92149056 _cell_length_c 5.59166888 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReNi2P _chemical_formula_sum 'Re1 Ni2 P1' _cell_volume 47.72549271 _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 Ni Ni0 1 0.00000000 0.00000000 0.09906161 1 Ni Ni1 1 1.46074528 1.46074528 1.48211752 1 P P2 1 0.00000000 0.00000000 2.68271940 1 Re Re3 1 1.46074528 1.46074528 4.12360484 1 [/CIF]
Ni2PRe
P4mm
99
tetragonal
4mm
11,640.791441
false
[CIF] data_Pd2RuCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95269816 _cell_length_b 4.95269816 _cell_length_c 2.81236906 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.84938063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pd2RuCl _chemical_formula_sum 'Pd2 Ru1 Cl1' _cell_volume 62.59826419 _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 Pd Pd1 1 1.33328541 2.08678096 1.40618453 1 Pd Pd2 1 1.33328541 -2.08678096 1.40618453 1 Ru Ru3 1 2.66657082 0.00000000 0.00000000 1 [/CIF]
ClPd2Ru
Cmmm
65
orthorhombic
mmm
9,267.523907
false
[CIF] data_V2HgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40813408 _cell_length_b 5.40813408 _cell_length_c 5.40813408 _cell_angle_alpha 136.55665993 _cell_angle_beta 136.55665993 _cell_angle_gamma 63.12089431 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2HgTe _chemical_formula_sum 'V2 Hg1 Te1' _cell_volume 73.84495488 _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 2.00154037 0.00000000 2.30410430 1 Te Te1 1 0.00000000 0.00000000 4.60820860 1 V V2 1 0.00000000 2.00154037 2.30410430 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgTeV2
I-4m2
119
tetragonal
-42m
9,670.979137
false
[CIF] data_NbIrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92890885 _cell_length_b 4.92890885 _cell_length_c 4.92890885 _cell_angle_alpha 146.75813817 _cell_angle_beta 132.83356290 _cell_angle_gamma 58.91995877 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbIrPt _chemical_formula_sum 'Nb1 Ir1 Pt1' _cell_volume 47.72572401 _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 -0.00000000 -0.00000000 8.55957639 1 Nb Nb1 1 -0.00000000 0.00000000 2.89187849 1 Pt Pt2 1 0.00000000 0.00000000 5.71493776 1 [/CIF]
IrNbPt
Imm2
44
orthorhombic
mm2
16,708.035993
false
[CIF] data_CoCu2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48094310 _cell_length_b 3.62199513 _cell_length_c 5.01912157 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.68794657 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoCu2Ni _chemical_formula_sum 'Co1 Cu2 Ni1' _cell_volume 45.05202240 _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 1.03737355 0.00000000 3.68944664 1 Cu Cu1 1 0.01770895 1.81099757 0.00414514 1 Cu Cu2 1 1.20958974 0.00000000 1.25311597 1 Ni Ni3 1 2.34414653 1.81099757 2.57369126 1 [/CIF]
CoCu2Ni
Pm
6
monoclinic
m
9,019.90112
false
[CIF] data_Mn2TlTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56158683 _cell_length_b 3.56158683 _cell_length_c 6.59996587 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2TlTe _chemical_formula_sum 'Mn2 Tl1 Te1' _cell_volume 83.71991200 _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 1.78079342 1.78079342 5.16390794 1 Mn Mn1 1 1.78079342 1.78079342 1.43605793 1 Te Te2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 3.29998294 1 [/CIF]
Mn2TeTl
P4/mmm
123
tetragonal
4/mmm
8,764.041451
false
[CIF] data_MnTlVNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43532325 _cell_length_b 4.43532325 _cell_length_c 4.43532325 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTlVNi _chemical_formula_sum 'Mn1 Tl1 V1 Ni1' _cell_volume 61.69654364 _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 1.56812358 1.56812358 1.56812358 1 Ni Ni1 1 3.13624715 3.13624715 3.13624715 1 Tl Tl2 1 4.70437073 4.70437073 4.70437073 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MnNiTlV
F-43m
216
cubic
-43m
9,930.317366
false
[CIF] data_CaZrTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29917151 _cell_length_b 5.29917151 _cell_length_c 5.29917151 _cell_angle_alpha 125.58222743 _cell_angle_beta 114.10426453 _cell_angle_gamma 90.55754668 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZrTe2 _chemical_formula_sum 'Ca1 Zr1 Te2' _cell_volume 104.15628966 _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 Te Te1 1 2.42297127 -0.00000000 2.01466897 1 Te Te2 1 -0.00000000 2.88209072 1.71413539 1 Zr Zr3 1 -0.00000000 -0.00000000 3.72880436 1 [/CIF]
CaTe2Zr
Immm
71
orthorhombic
mmm
6,161.90988
false
[CIF] data_BN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.50203127 _cell_length_b 2.50203127 _cell_length_c 6.69531100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BN _chemical_formula_sum 'B2 N2' _cell_volume 36.29834739 _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 B B0 1 -0.00000000 1.44454843 1.67382775 1 B B1 1 1.25101563 0.72227421 5.02148325 1 N N2 1 0.00000000 0.00000000 1.67382775 1 N N3 1 0.00000000 0.00000000 5.02148325 1 [/CIF]
B2N2
P6_3/mmc
194
hexagonal
6/mmm
2,270.652189
false
[CIF] data_TaOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40941824 _cell_length_b 6.40941824 _cell_length_c 3.94385230 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 144.69855347 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaOs2 _chemical_formula_sum 'Ta2 Os4' _cell_volume 93.62551064 _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 Os Os0 1 1.94342291 -1.09157848 2.95788923 1 Os Os1 1 1.94342291 1.09157848 0.98596308 1 Os Os2 1 1.94342291 3.08683652 2.95788923 1 Os Os3 1 1.94342291 -3.08683652 0.98596308 1 Ta Ta4 1 1.94342291 -4.99137200 2.95788923 1 Ta Ta5 1 1.94342291 4.99137200 0.98596308 1 [/CIF]
Os4Ta2
Cmcm
63
orthorhombic
mmm
19,914.22446
false
[CIF] data_BaIrPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15070550 _cell_length_b 5.15070550 _cell_length_c 3.07964806 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.67116476 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaIrPd2 _chemical_formula_sum 'Ba1 Ir1 Pd2' _cell_volume 79.03846850 _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 0.00000000 1 Ir Ir1 1 3.14726416 0.00000000 0.00000000 1 Pd Pd2 1 1.57363208 -2.03865737 1.53982403 1 Pd Pd3 1 1.57363208 2.03865737 1.53982403 1 [/CIF]
BaIrPd2
Cmmm
65
orthorhombic
mmm
11,395.081892
false
[CIF] data_Tc7P6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.77647975 _cell_length_b 8.77647975 _cell_length_c 8.77647975 _cell_angle_alpha 35.30066210 _cell_angle_beta 35.30066210 _cell_angle_gamma 35.30066210 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc7P6 _chemical_formula_sum 'Tc7 P6' _cell_volume 201.66676382 _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 0.00000000 13.61450009 1 P P1 1 -0.00000000 -0.00000000 11.04847846 1 P P2 1 -0.00000000 0.00000000 16.83128276 1 P P3 1 0.00000000 -0.00000000 7.83169579 1 P P4 1 0.00000000 -0.00000000 20.55752069 1 P P5 1 0.00000000 0.00000000 4.10545786 1 Tc Tc6 1 -1.33379078 0.77006447 5.94896445 1 Tc Tc7 1 0.00000000 -1.54012893 5.94896445 1 Tc Tc8 1 1.33379078 0.77006447 5.94896445 1 Tc Tc9 1 1.33379078 -0.77006447 18.71401409 1 Tc Tc10 1 -1.33379078 -0.77006447 18.71401409 1 Tc Tc11 1 0.00000000 1.54012893 18.71401409 1 Tc Tc12 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
P6Tc7
R-3m
166
trigonal
-3m
7,231.048324
false
[CIF] data_Na2ReNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52999102 _cell_length_b 4.52999102 _cell_length_c 4.52999102 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2ReNi _chemical_formula_sum 'Na2 Re1 Ni1' _cell_volume 65.73202705 _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 Na Na1 1 1.60159368 1.60159368 1.60159368 1 Ni Ni2 1 3.20318737 3.20318737 3.20318737 1 Re Re3 1 4.80478105 4.80478105 4.80478105 1 [/CIF]
Na2NiRe
F-43m
216
cubic
-43m
7,348.284953
false
[CIF] data_La3PSe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.53743187 _cell_length_b 17.43147665 _cell_length_c 4.14519864 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3PSe6 _chemical_formula_sum 'La12 P4 Se24' _cell_volume 1050.43024502 _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 La La0 1 7.99465146 13.63529290 0.00000000 1 La La1 1 6.54278041 3.79618375 0.00000000 1 La La2 1 13.81149634 4.91955457 2.07259932 1 La La3 1 0.72593553 12.51192208 2.07259932 1 La La4 1 3.58314405 7.02595434 0.00000000 1 La La5 1 10.95428782 10.40552231 0.00000000 1 La La6 1 3.68557189 15.74169266 2.07259932 1 La La7 1 10.85185998 1.68978399 2.07259932 1 La La8 1 9.90005507 6.11185746 0.00000000 1 La La9 1 4.63737680 11.31961919 0.00000000 1 La La10 1 11.90609274 14.82759579 2.07259932 1 La La11 1 2.63133913 2.60388086 2.07259932 1 P P12 1 0.00000000 8.71573833 0.00000000 1 P P13 1 7.26871594 0.00000000 2.07259932 1 P P14 1 0.00000000 0.00000000 0.00000000 1 P P15 1 7.26871594 8.71573833 2.07259932 1 Se Se16 1 8.46262041 1.29195464 0.00000000 1 Se Se17 1 6.07481146 16.13952201 0.00000000 1 Se Se18 1 13.34352740 10.00769296 2.07259932 1 Se Se19 1 1.19390447 7.42378369 2.07259932 1 Se Se20 1 12.76475008 6.88556454 0.00000000 1 Se Se21 1 1.77268179 10.54591211 0.00000000 1 Se Se22 1 9.04139773 15.60130286 2.07259932 1 Se Se23 1 5.49603414 1.83017379 2.07259932 1 Se Se24 1 13.03287614 12.96455722 0.00000000 1 Se Se25 1 1.50455573 4.46691943 0.00000000 1 Se Se26 1 8.77327166 4.24881889 2.07259932 1 Se Se27 1 5.76416021 13.18265776 2.07259932 1 Se Se28 1 11.95716172 17.06368975 0.00000000 1 Se Se29 1 2.58027015 0.36778690 0.00000000 1 Se Se30 1 9.84898609 8.34795142 2.07259932 1 Se Se31 1 4.68844578 9.08352523 2.07259932 1 Se Se32 1 7.60100325 10.40698935 0.00000000 1 Se Se33 1 6.93642862 7.02448730 0.00000000 1 Se Se34 1 14.20514456 1.69125102 2.07259932 1 Se Se35 1 0.33228731 15.74022563 2.07259932 1 Se Se36 1 11.85037745 3.65215008 0.00000000 1 Se Se37 1 2.68705442 13.77932657 0.00000000 1 Se Se38 1 9.95577036 12.36788840 2.07259932 1 Se Se39 1 4.58166151 5.06358825 2.07259932 1 [/CIF]
La12P4Se24
Pnnm
58
orthorhombic
mmm
5,826.580169
false
[CIF] data_LaTc2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06627198 _cell_length_b 3.06627198 _cell_length_c 9.05181549 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 116.14544020 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTc2Hg _chemical_formula_sum 'La1 Tc2 Hg1' _cell_volume 76.39726470 _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 4.52590774 1 La La1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.62157491 0.00000000 2.20464407 1 Tc Tc3 1 1.62157491 0.00000000 6.84717142 1 [/CIF]
HgLaTc2
Cmmm
65
orthorhombic
mmm
11,678.699656
false
[CIF] data_CsMn3B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99043534 _cell_length_b 4.99043534 _cell_length_c 4.99043534 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsMn3B _chemical_formula_sum 'Cs1 Mn3 B1' _cell_volume 124.28402187 _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 2.49521767 2.49521767 2.49521767 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 2.49521767 0.00000000 2.49521767 1 Mn Mn3 1 2.49521767 2.49521767 0.00000000 1 Mn Mn4 1 0.00000000 2.49521767 2.49521767 1 [/CIF]
BCsMn3
Pm-3m
221
cubic
m-3m
4,122.228144
false
[CIF] data_Al2V2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39953994 _cell_length_b 7.39953994 _cell_length_c 7.39953994 _cell_angle_alpha 153.14400534 _cell_angle_beta 153.14400534 _cell_angle_gamma 38.34498596 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2V2Ag _chemical_formula_sum 'Al2 V2 Ag1' _cell_volume 82.54734128 _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 Al Al1 1 0.00000000 -0.00000000 8.38387145 1 Al Al2 1 -0.00000000 0.00000000 5.59436483 1 V V3 1 -0.00000000 1.71834498 3.49455907 1 V V4 1 1.71834498 0.00000000 3.49455907 1 [/CIF]
AgAl2V2
I4/mmm
139
tetragonal
4/mmm
5,304.929909
false
[CIF] data_TlAgP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83217842 _cell_length_b 4.83217842 _cell_length_c 3.40654505 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlAgP2 _chemical_formula_sum 'Tl1 Ag1 P2' _cell_volume 79.54265074 _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 P P1 1 0.00000000 2.41608921 1.70327253 1 P P2 1 2.41608921 0.00000000 1.70327253 1 Tl Tl3 1 2.41608921 2.41608921 0.00000000 1 [/CIF]
AgP2Tl
P4/mmm
123
tetragonal
4/mmm
7,811.810296
false
[CIF] data_NdSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52557978 _cell_length_b 4.52557978 _cell_length_c 4.52557978 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdSb _chemical_formula_sum 'Nd1 Sb1' _cell_volume 65.54018741 _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 Nd Nd1 1 3.20006815 3.20006815 3.20006815 1 [/CIF]
NdSb
Fm-3m
225
cubic
m-3m
6,739.481041
false
[CIF] data_ZrMnTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80641924 _cell_length_b 4.30661676 _cell_length_c 5.15178363 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.20267351 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMnTc2 _chemical_formula_sum 'Zr1 Mn1 Tc2' _cell_volume 61.46391430 _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 Tc Tc1 1 1.93990013 2.15330838 1.17004252 1 Tc Tc2 1 0.04260853 2.15330838 3.91543149 1 Zr Zr3 1 0.99125433 0.00000000 2.54273700 1 [/CIF]
MnTc2Zr
P2/m
10
monoclinic
2/m
9,292.981261
false
[CIF] data_BaFeB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58640342 _cell_length_b 4.58640342 _cell_length_c 2.97115605 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaFeB2 _chemical_formula_sum 'Ba1 Fe1 B2' _cell_volume 62.49855373 _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 2.29320171 1.48557802 1 B B1 1 2.29320171 0.00000000 1.48557802 1 Ba Ba2 1 2.29320171 2.29320171 0.00000000 1 Fe Fe3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2BaFe
P4/mmm
123
tetragonal
4/mmm
5,706.913312
false
[CIF] data_BaGaSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62538202 _cell_length_b 4.62538202 _cell_length_c 5.37355048 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaGaSb _chemical_formula_sum 'Ba1 Ga1 Sb1' _cell_volume 99.56052549 _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 2.31269103 1.33523276 0.13066573 1 Ga Ga1 1 0.00000000 0.00000000 2.09085198 1 Sb Sb2 1 0.00000002 2.67046554 3.15203277 1 [/CIF]
BaGaSb
P3m1
156
trigonal
3m
5,484.119812
false
[CIF] data_MoAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79115094 _cell_length_b 6.79115094 _cell_length_c 4.87886717 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 135.62012576 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoAs3 _chemical_formula_sum 'Mo2 As6' _cell_volume 157.37619686 _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 As As0 1 2.56486946 -5.69532733 1.21971679 1 As As1 1 2.56486946 5.69532733 3.65915038 1 As As2 1 3.87495633 -2.55265049 1.21971679 1 As As3 1 1.25478259 2.55265049 3.65915038 1 As As4 1 1.25478259 -2.55265049 1.21971679 1 As As5 1 3.87495633 2.55265049 3.65915038 1 Mo Mo6 1 2.56486946 0.29876062 3.65915038 1 Mo Mo7 1 2.56486946 -0.29876062 1.21971679 1 [/CIF]
As6Mo2
Cmcm
63
orthorhombic
mmm
6,768.190751
false
[CIF] data_AlAg2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00690734 _cell_length_b 5.00690734 _cell_length_c 5.00690734 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlAg2Br _chemical_formula_sum 'Al1 Ag2 Br1' _cell_volume 88.75517074 _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 3.54041813 3.54041813 3.54041813 1 Ag Ag1 1 5.31062720 5.31062720 5.31062720 1 Al Al2 1 0.00000000 0.00000000 0.00000000 1 Br Br3 1 1.77020907 1.77020907 1.77020906 1 [/CIF]
Ag2AlBr
F-43m
216
cubic
-43m
6,036.001377
false