Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files 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_NbCrSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95347721 _cell_length_b 4.95347721 _cell_length_c 3.22444040 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 95.66135169 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCrSb2 _chemical_formula_sum 'Nb1 Cr1 Sb2' _cell_volume 78.73197896 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 3.32538749 -0.00000000 0.00000000 1 Sb Sb2 1 1.66269375 -1.83566980 1.61222020 1 Sb Sb3 1 1.66269375 1.83566980 1.61222020 1 [/CIF]
CrNbSb2
Cmmm
65
orthorhombic
mmm
8,192.797357
false
[CIF] data_ScHgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63742583 _cell_length_b 4.63742583 _cell_length_c 4.63742583 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScHgMo _chemical_formula_sum 'Sc1 Hg1 Mo1' _cell_volume 70.52058909 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.27915525 3.27915525 3.27915525 1 Mo Mo1 1 4.91873287 4.91873287 4.91873287 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgMoSc
F-43m
216
cubic
-43m
8,041.394941
false
[CIF] data_SrMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91679167 _cell_length_b 2.91679167 _cell_length_c 5.42313635 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMo _chemical_formula_sum 'Sr1 Mo1' _cell_volume 46.13827430 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45839584 1.45839584 2.71156818 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoSr
P4/mmm
123
tetragonal
4/mmm
6,607.680337
false
[CIF] data_HfMnInW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64603962 _cell_length_b 4.64603962 _cell_length_c 4.64603962 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMnInW _chemical_formula_sum 'Hf1 Mn1 In1 W1' _cell_volume 70.91428506 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.92786918 4.92786918 4.92786918 1 In In1 1 3.28524612 3.28524612 3.28524612 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.64262306 1.64262306 1.64262306 1 [/CIF]
HfInMnW
F-43m
216
cubic
-43m
12,459.403119
false
[CIF] data_Ac2EuSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89043566 _cell_length_b 5.89043566 _cell_length_c 5.89043566 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ac2EuSb _chemical_formula_sum 'Ac2 Eu1 Sb1' _cell_volume 144.51976687 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ac Ac0 1 6.24775050 6.24775050 6.24775050 1 Ac Ac1 1 2.08258350 2.08258350 2.08258350 1 Eu Eu2 1 4.16516700 4.16516700 4.16516700 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ac2EuSb
Fm-3m
225
cubic
m-3m
8,361.583733
false
[CIF] data_MgNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97905607 _cell_length_b 4.97905607 _cell_length_c 4.38111176 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 147.54555645 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNi _chemical_formula_sum 'Mg2 Ni2' _cell_volume 58.28440698 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 1.39138387 -0.94687375 3.28583382 1 Mg Mg1 1 1.39138387 0.94687375 1.09527794 1 Ni Ni2 1 1.39138387 -3.43267109 3.28583382 1 Ni Ni3 1 1.39138387 3.43267109 1.09527794 1 [/CIF]
Mg2Ni2
Cmcm
63
orthorhombic
mmm
4,729.295289
false
[CIF] data_Na5Li _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90430643 _cell_length_b 9.36297299 _cell_length_c 9.36297299 _cell_angle_alpha 22.24187661 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Li _chemical_formula_sum 'Na5 Li1' _cell_volume 195.92157699 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00754523 1 Na Na1 1 0.00000000 -0.00000000 12.12251771 1 Na Na2 1 0.00000000 -0.00000000 6.26072362 1 Na Na3 1 2.95215322 -0.00000000 10.12335644 1 Na Na4 1 2.95215322 -0.00000000 4.08267094 1 Na Na5 1 2.95215322 -0.00000000 16.40135853 1 [/CIF]
LiNa5
Amm2
38
orthorhombic
mm2
1,033.080965
false
[CIF] data_In2CuAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94014256 _cell_length_b 4.00451130 _cell_length_c 5.69933436 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.88327047 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2CuAs _chemical_formula_sum 'In2 Cu1 As1' _cell_volume 84.56534608 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.28232685 2.00225565 2.63707625 1 Cu Cu1 1 0.23876228 0.00000000 4.20308155 1 In In2 1 -1.69809058 2.00225565 4.92962244 1 In In3 1 2.24128523 0.00000000 1.62917634 1 [/CIF]
AsCuIn2
Pm
6
monoclinic
m
7,228.14293
false
[CIF] data_MnInNiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34677944 _cell_length_b 4.34677944 _cell_length_c 4.34677944 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnInNiOs _chemical_formula_sum 'Mn1 In1 Ni1 Os1' _cell_volume 58.07481216 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53681861 1.53681861 1.53681861 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 4.61045582 4.61045582 4.61045582 1 Ni Ni3 1 3.07363722 3.07363722 3.07363722 1 [/CIF]
InMnNiOs
F-43m
216
cubic
-43m
11,971.344356
false
[CIF] data_FeNi2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53321222 _cell_length_b 4.53321222 _cell_length_c 2.56955543 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.37706230 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeNi2Mo _chemical_formula_sum 'Fe1 Ni2 Mo1' _cell_volume 49.17155090 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 2.55533273 0.00000000 0.00000000 1 Ni Ni2 1 1.27766637 -1.87218373 1.28477771 1 Ni Ni3 1 1.27766637 1.87218373 1.28477771 1 [/CIF]
FeMoNi2
Cmmm
65
orthorhombic
mmm
9,090.693545
false
[CIF] data_La2Ag3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.34150637 _cell_length_b 10.34150637 _cell_length_c 10.34150637 _cell_angle_alpha 159.96189784 _cell_angle_beta 159.96189784 _cell_angle_gamma 28.48644984 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2Ag3 _chemical_formula_sum 'La2 Ag3' _cell_volume 129.78619099 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.56730975 1 Ag Ag1 1 -0.00000000 0.00000000 0.00000000 1 Ag Ag2 1 0.00000000 -0.00000000 11.47990739 1 La La3 1 0.00000000 0.00000000 3.50247136 1 La La4 1 0.00000000 -0.00000000 16.54474578 1 [/CIF]
Ag3La2
I4/mmm
139
tetragonal
4/mmm
7,694.763147
false
[CIF] data_Ru2PtBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19819395 _cell_length_b 3.19819395 _cell_length_c 6.52946546 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ru2PtBr _chemical_formula_sum 'Ru2 Pt1 Br1' _cell_volume 66.78627535 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.00000000 0.00000000 3.26473273 1 Ru Ru2 1 1.59909697 1.59909697 4.63339899 1 Ru Ru3 1 1.59909697 1.59909697 1.89606647 1 [/CIF]
BrPtRu2
P4/mmm
123
tetragonal
4/mmm
11,863.06138
false
[CIF] data_Y2MgGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98679513 _cell_length_b 5.98679513 _cell_length_c 5.98679513 _cell_angle_alpha 136.40966910 _cell_angle_beta 136.40966910 _cell_angle_gamma 63.34761232 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2MgGa _chemical_formula_sum 'Y2 Mg1 Ga1' _cell_volume 100.69877957 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.22283411 2.54753474 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 2.22283411 -0.00000000 2.54753474 1 Y Y3 1 0.00000000 -0.00000000 5.09506948 1 [/CIF]
GaMgY2
I-4m2
119
tetragonal
-42m
4,482.680362
false
[CIF] data_CaTaSnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87450187 _cell_length_b 4.87450187 _cell_length_c 4.87450187 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTaSnPt _chemical_formula_sum 'Ca1 Ta1 Sn1 Pt1' _cell_volume 81.89845845 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 5.17019000 5.17019000 5.17019000 1 Sn Sn2 1 3.44679333 3.44679333 3.44679333 1 Ta Ta3 1 1.72339667 1.72339667 1.72339667 1 [/CIF]
CaPtSnTa
F-43m
216
cubic
-43m
10,843.785355
false
[CIF] data_Co2TcGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71657697 _cell_length_b 4.71657697 _cell_length_c 4.71657697 _cell_angle_alpha 141.69133571 _cell_angle_beta 129.54387390 _cell_angle_gamma 65.08005476 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2TcGe _chemical_formula_sum 'Co2 Tc1 Ge1' _cell_volume 49.48087132 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01031084 2.09274056 1 Co Co1 1 1.54757410 0.00000000 1.88340871 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 0.00000000 0.00000000 3.97614927 1 [/CIF]
Co2GeTc
Immm
71
orthorhombic
mmm
9,712.458557
false
[CIF] data_ScAlCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65073283 _cell_length_b 5.65073283 _cell_length_c 5.65073283 _cell_angle_alpha 149.43456485 _cell_angle_beta 149.43456485 _cell_angle_gamma 43.77203867 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAlCo _chemical_formula_sum 'Sc1 Al1 Co1' _cell_volume 46.52860617 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.17608307 1 Co Co1 1 -0.00000000 0.00000000 3.62577003 1 Sc Sc2 1 0.00000000 0.00000000 7.17202254 1 [/CIF]
AlCoSc
I4mm
107
tetragonal
4mm
4,670.602894
false
[CIF] data_NbAsP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48843063 _cell_length_b 4.48843063 _cell_length_c 3.13763058 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAsP2 _chemical_formula_sum 'Nb1 As1 P2' _cell_volume 63.21073554 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 2.24421531 2.24421531 0.00000000 1 P P2 1 2.24421531 0.00000000 1.56881529 1 P P3 1 0.00000000 2.24421531 1.56881529 1 [/CIF]
AsNbP2
P4/mmm
123
tetragonal
4/mmm
6,036.177205
false
[CIF] data_Ce3AlO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82710100 _cell_length_b 4.82710100 _cell_length_c 4.82710100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce3AlO _chemical_formula_sum 'Ce3 Al1 O1' _cell_volume 112.47581731 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 2.41355050 0.00000000 0.00000000 1 Ce Ce1 1 0.00000000 2.41355050 0.00000000 1 Ce Ce2 1 0.00000000 0.00000000 2.41355050 1 Al Al3 1 2.41355050 2.41355050 2.41355050 1 O O4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AlCe3O
Pm-3m
221
cubic
m-3m
6,840.366415
false
[CIF] data_VPRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86263357 _cell_length_b 2.86263357 _cell_length_c 6.43164191 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VPRu2 _chemical_formula_sum 'V1 P1 Ru2' _cell_volume 52.70518916 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Ru Ru1 1 1.43131678 1.43131678 1.42200413 1 Ru Ru2 1 1.43131678 1.43131678 5.00963778 1 V V3 1 0.00000000 0.00000000 3.21582095 1 [/CIF]
PRu2V
P4/mmm
123
tetragonal
4/mmm
8,949.495622
false
[CIF] data_ReIrW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96523669 _cell_length_b 3.96523669 _cell_length_c 3.92248576 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReIrW2 _chemical_formula_sum 'Re1 Ir1 W2' _cell_volume 61.67364373 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98261835 1.98261835 0.00000000 1 Re Re1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 0.00000000 1.98261835 1.96124288 1 W W3 1 1.98261835 0.00000000 1.96124288 1 [/CIF]
IrReW2
P4/mmm
123
tetragonal
4/mmm
20,088.581698
false
[CIF] data_TaNb2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50361262 _cell_length_b 4.50361262 _cell_length_c 4.50361262 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNb2Co _chemical_formula_sum 'Ta1 Nb2 Co1' _cell_volume 64.59041621 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 1.59226751 1.59226751 1.59226751 1 Nb Nb2 1 4.77680253 4.77680253 4.77680253 1 Ta Ta3 1 3.18453502 3.18453502 3.18453502 1 [/CIF]
CoNb2Ta
Fm-3m
225
cubic
m-3m
10,944.057724
false
[CIF] data_BiSb2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50421615 _cell_length_b 3.50421615 _cell_length_c 8.08004830 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiSb2W _chemical_formula_sum 'Bi1 Sb2 W1' _cell_volume 99.21920217 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75210808 1.75210808 5.58475090 1 Sb Sb1 1 0.00000000 0.00000000 0.45663617 1 Sb Sb2 1 1.75210808 1.75210808 2.37770846 1 W W3 1 0.00000000 0.00000000 3.70097692 1 [/CIF]
BiSb2W
P4mm
99
tetragonal
4mm
10,649.834616
false
[CIF] data_CdGaSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.70920801 _cell_length_b 10.70920801 _cell_length_c 10.70920801 _cell_angle_alpha 17.82922766 _cell_angle_beta 17.82922766 _cell_angle_gamma 17.82922766 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGaSb2 _chemical_formula_sum 'Cd1 Ga1 Sb2' _cell_volume 100.51916534 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 15.80455612 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 -0.00000000 0.00000000 23.68987495 1 Sb Sb3 1 0.00000000 0.00000000 7.91923730 1 [/CIF]
CdGaSb2
R-3m
166
trigonal
-3m
7,031.64509
false
[CIF] data_CrP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.77466117 _cell_length_b 6.77466117 _cell_length_c 3.82245450 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 139.25874456 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrP3 _chemical_formula_sum 'Cr2 P6' _cell_volume 114.49694931 _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 Cr Cr0 1 2.35820204 0.64000555 2.86684087 1 Cr Cr1 1 2.35820204 -0.64000555 0.95561362 1 P P2 1 2.35820204 -5.69028290 0.95561362 1 P P3 1 2.35820204 5.69028290 2.86684087 1 P P4 1 3.63924743 -2.54220172 0.95561362 1 P P5 1 1.07715665 2.54220172 2.86684087 1 P P6 1 1.07715665 -2.54220172 0.95561362 1 P P7 1 3.63924743 2.54220172 2.86684087 1 [/CIF]
Cr2P6
Cmcm
63
orthorhombic
mmm
4,203.447906
false
[CIF] data_YMg2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08519058 _cell_length_b 5.08519058 _cell_length_c 5.08519058 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMg2As _chemical_formula_sum 'Y1 Mg2 As1' _cell_volume 92.98367410 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.59577274 3.59577274 3.59577274 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 5.39365911 5.39365911 5.39365911 1 Y Y3 1 1.79788637 1.79788637 1.79788637 1 [/CIF]
AsMg2Y
F-43m
216
cubic
-43m
3,793.791634
false
[CIF] data_HfPt4Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31220172 _cell_length_b 5.31220172 _cell_length_c 5.31220172 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfPt4Se _chemical_formula_sum 'Hf1 Pt4 Se1' _cell_volume 106.00068622 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.63444079 5.63444079 5.63444079 1 Pt Pt1 1 4.69327289 2.81931483 4.69327289 1 Pt Pt2 1 2.81931483 4.69327289 4.69327289 1 Pt Pt3 1 2.81931483 2.81931483 2.81931483 1 Pt Pt4 1 4.69327289 4.69327289 2.81931483 1 Se Se5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfPt4Se
F-43m
216
cubic
-43m
16,257.292827
false
[CIF] data_ZnCr2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96481541 _cell_length_b 2.96481541 _cell_length_c 5.70848451 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCr2P _chemical_formula_sum 'Zn1 Cr2 P1' _cell_volume 50.17832332 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.14646693 1 Cr Cr1 1 1.48240771 1.48240771 1.46629897 1 P P2 1 0.00000000 0.00000000 2.62953079 1 Zn Zn3 1 1.48240771 1.48240771 4.32043014 1 [/CIF]
Cr2PZn
P4mm
99
tetragonal
4mm
6,630.000262
false
[CIF] data_KTaCoHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85557517 _cell_length_b 4.85557517 _cell_length_c 4.85557517 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTaCoHg _chemical_formula_sum 'K1 Ta1 Co1 Hg1' _cell_volume 80.94817243 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.15011520 5.15011520 5.15011520 1 Hg Hg1 1 1.71670507 1.71670507 1.71670506 1 K K2 1 0.00000000 -0.00000000 0.00000000 1 Ta Ta3 1 3.43341013 3.43341013 3.43341013 1 [/CIF]
CoHgKTa
F-43m
216
cubic
-43m
9,837.698102
false
[CIF] data_HfZrAgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92376286 _cell_length_b 4.92376286 _cell_length_c 4.92376286 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrAgSn _chemical_formula_sum 'Hf1 Zr1 Ag1 Sn1' _cell_volume 84.40659628 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74081306 1.74081306 1.74081306 1 Hf Hf1 1 3.48162611 3.48162611 3.48162611 1 Sn Sn2 1 5.22243916 5.22243916 5.22243916 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgHfSnZr
F-43m
216
cubic
-43m
9,763.604065
false
[CIF] data_KLi2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71842821 _cell_length_b 2.71842821 _cell_length_c 10.96098671 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 101.74387183 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLi2Os _chemical_formula_sum 'K1 Li2 Os1' _cell_volume 79.30451462 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 1.71548002 0.00000000 3.43876888 1 Li Li2 1 1.71548002 0.00000000 7.52221783 1 Os Os3 1 0.00000000 0.00000000 5.48049336 1 [/CIF]
KLi2Os
Cmmm
65
orthorhombic
mmm
5,092.524763
false
[CIF] data_NbAl2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.97685403 _cell_length_b 8.97685403 _cell_length_c 8.97685403 _cell_angle_alpha 18.73054332 _cell_angle_beta 18.73054332 _cell_angle_gamma 18.73054332 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAl2Pt _chemical_formula_sum 'Nb1 Al2 Pt1' _cell_volume 65.17513330 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 19.97322850 1 Al Al1 1 0.00000000 0.00000000 6.47764028 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 -0.00000000 0.00000000 13.22543439 1 [/CIF]
Al2NbPt
R-3m
166
trigonal
-3m
8,712.327019
false
[CIF] data_Hf3Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31318648 _cell_length_b 4.31318648 _cell_length_c 4.31318648 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Pd _chemical_formula_sum 'Hf3 Pd1' _cell_volume 80.24069943 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 2.15659324 2.15659324 1 Hf Hf1 1 2.15659324 0.00000000 2.15659324 1 Hf Hf2 1 2.15659324 2.15659324 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf3Pd
Pm-3m
221
cubic
m-3m
13,283.575903
false
[CIF] data_Sr2V3Bi3O14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.21991037 _cell_length_b 7.27078337 _cell_length_c 14.40992955 _cell_angle_alpha 100.94287083 _cell_angle_beta 96.53456686 _cell_angle_gamma 110.72357356 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2V3Bi3O14 _chemical_formula_sum 'Sr4 V6 Bi6 O28' _cell_volume 681.00997880 _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 Sr Sr0 1 -0.26308968 5.54411877 0.92410387 1 Sr Sr1 1 3.27027516 -2.28886816 12.94633546 1 Sr Sr2 1 -1.53369676 4.23990954 7.74476744 1 Sr Sr3 1 4.54088225 -0.98465892 6.12567189 1 V V4 1 1.10830402 2.13314241 1.05691999 1 V V5 1 1.89888146 1.12210820 12.81351935 1 V V6 1 -0.26202871 0.65632513 7.92004083 1 V V7 1 3.26921419 2.59892549 5.95039850 1 V V8 1 4.75983375 0.38308077 2.76398242 1 V V9 1 -1.75264826 2.87216985 11.10645692 1 Bi Bi10 1 -0.46446263 3.17545957 4.18780438 1 Bi Bi11 1 3.47164811 0.07979105 9.68263496 1 Bi Bi12 1 1.21125835 -0.24706234 4.54190740 1 Bi Bi13 1 1.79592714 3.50231295 9.32853194 1 Bi Bi14 1 -0.64816938 -0.65824919 11.52078081 1 Bi Bi15 1 3.65535487 3.91349981 2.34965853 1 O O16 1 0.78120789 0.66554283 1.84292144 1 O O17 1 2.22597759 2.58970779 12.02751789 1 O O18 1 0.62376077 -0.07698192 9.20945407 1 O O19 1 2.38342472 3.33223253 4.66098526 1 O O20 1 4.62333845 -1.48139062 10.69057787 1 O O21 1 -1.61615296 4.73664123 3.17986147 1 O O22 1 0.16941335 1.01283723 13.04328401 1 O O23 1 2.83777213 2.24241339 0.82715533 1 O O24 1 -2.03459582 1.08924814 11.16161716 1 O O25 1 5.04178130 2.16600248 2.70882218 1 O O26 1 -0.07880378 -0.43299974 6.53441085 1 O O27 1 3.08598926 3.68825036 7.33602848 1 O O28 1 2.25964813 -0.23219145 11.74011226 1 O O29 1 0.74753735 3.48744206 2.13032707 1 O O30 1 3.30698647 -1.65774717 8.35985998 1 O O31 1 -0.29980098 4.91299779 5.51057935 1 O O32 1 -1.97830411 0.57864262 8.23333411 1 O O33 1 4.98548959 2.67660800 5.63710522 1 O O34 1 -1.79666619 3.54932802 12.68449500 1 O O35 1 4.80385167 -0.29407741 1.18594434 1 O O36 1 -1.58634809 -1.25412869 13.46430677 1 O O37 1 4.59353357 4.50937930 0.40613257 1 O O38 1 0.23386325 2.30250416 7.67247832 1 O O39 1 2.77332223 0.95274646 6.19796102 1 O O40 1 -2.86505502 3.64956467 10.02547269 1 O O41 1 5.87224051 -0.39431406 3.84496665 1 O O42 1 -0.18952944 3.28392207 10.50679372 1 O O43 1 3.19671492 -0.02867146 3.36364562 1 [/CIF]
Bi6O28Sr4V6
P-1
2
triclinic
-1
5,749.61054
true
[CIF] data_CaPb2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32405980 _cell_length_b 5.32405980 _cell_length_c 5.32405980 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPb2W _chemical_formula_sum 'Ca1 Pb2 W1' _cell_volume 106.71212724 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 3.76467879 3.76467879 3.76467879 1 Pb Pb2 1 1.88233940 1.88233940 1.88233940 1 W W3 1 5.64701819 5.64701819 5.64701819 1 [/CIF]
CaPb2W
F-43m
216
cubic
-43m
9,932.816479
false
[CIF] data_SrMn2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09109329 _cell_length_b 5.09109329 _cell_length_c 5.09109329 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMn2Pb _chemical_formula_sum 'Sr1 Mn2 Pb1' _cell_volume 93.30784690 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79997330 1.79997330 1.79997329 1 Mn Mn1 1 5.39991989 5.39991989 5.39991989 1 Pb Pb2 1 3.59994659 3.59994659 3.59994659 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mn2PbSr
Fm-3m
225
cubic
m-3m
7,202.113111
false
[CIF] data_Sc2BeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54211733 _cell_length_b 4.54211733 _cell_length_c 4.54211733 _cell_angle_alpha 122.84141125 _cell_angle_beta 120.39122490 _cell_angle_gamma 87.23628294 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2BeRu _chemical_formula_sum 'Sc2 Be1 Ru1' _cell_volume 64.52164779 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 0.00000000 0.00000000 3.28828161 1 Sc Sc2 1 2.17283329 0.00000000 1.65612501 1 Sc Sc3 1 -0.00000000 2.25761586 1.63215660 1 [/CIF]
BeRuSc2
Immm
71
orthorhombic
mmm
5,147.077011
false
[CIF] data_Be2FeHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89085765 _cell_length_b 2.89085765 _cell_length_c 5.65158380 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2FeHg _chemical_formula_sum 'Be2 Fe1 Hg1' _cell_volume 47.23061330 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.44542882 1.44542882 4.63926295 1 Be Be1 1 1.44542882 1.44542882 1.01232085 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Hg Hg3 1 0.00000000 0.00000000 2.82579190 1 [/CIF]
Be2FeHg
P4/mmm
123
tetragonal
4/mmm
9,649.472837
false
[CIF] data_ScAlV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73460831 _cell_length_b 4.73460831 _cell_length_c 5.19015888 _cell_angle_alpha 95.74169277 _cell_angle_beta 95.74169277 _cell_angle_gamma 34.10974248 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAlV2 _chemical_formula_sum 'Sc1 Al1 V2' _cell_volume 64.88586280 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.31463303 -0.00000000 2.69233879 1 Sc Sc1 1 6.72269076 -0.00000000 1.29949983 1 V V2 1 8.44345252 -0.00000000 4.99211491 1 V V3 1 1.79340801 -0.00000000 3.92020316 1 [/CIF]
AlScV2
Cm
8
monoclinic
m
4,448.359571
false
[CIF] data_Zr2BPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53772289 _cell_length_b 3.53772289 _cell_length_c 5.98485482 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2BPt _chemical_formula_sum 'Zr2 B1 Pt1' _cell_volume 74.90335023 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.18701198 1 Pt Pt1 1 1.76886145 1.76886145 4.81197756 1 Zr Zr2 1 0.00000000 0.00000000 5.84222190 1 Zr Zr3 1 1.76886145 1.76886145 2.12092560 1 [/CIF]
BPtZr2
P4mm
99
tetragonal
4mm
8,609.244388
false
[CIF] data_AgMoW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.65415098 _cell_length_b 4.36262804 _cell_length_c 5.68121058 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgMoW2 _chemical_formula_sum 'Ag1 Mo1 W2' _cell_volume 65.78315481 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.32707549 2.18131402 2.84766505 1 Mo Mo1 1 0.00000000 0.00000000 4.28538077 1 W W2 1 1.32707549 2.18131402 0.00075640 1 W W3 1 0.00000000 0.00000000 1.38801366 1 [/CIF]
AgMoW2
Pmm2
25
orthorhombic
mm2
14,426.363342
false
[CIF] data_TiInSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25220004 _cell_length_b 3.25220004 _cell_length_c 8.16174788 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiInSe2 _chemical_formula_sum 'Ti1 In1 Se2' _cell_volume 86.32521660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.08087394 1 Se Se1 1 1.62610002 1.62610002 6.65341304 1 Se Se2 1 1.62610002 1.62610002 1.50833484 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InSe2Ti
P4/mmm
123
tetragonal
4/mmm
6,167.110242
false
[CIF] data_NaOs2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.83614091 _cell_length_b 9.83614091 _cell_length_c 9.83614091 _cell_angle_alpha 15.97529917 _cell_angle_beta 15.97529917 _cell_angle_gamma 15.97529917 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaOs2Ru _chemical_formula_sum 'Na1 Os2 Ru1' _cell_volume 62.83161530 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 0.00000000 0.00000000 22.11857420 1 Os Os2 1 -0.00000000 -0.00000000 7.00750404 1 Ru Ru3 1 0.00000000 0.00000000 14.56303912 1 [/CIF]
NaOs2Ru
R-3m
166
trigonal
-3m
13,333.650301
false
[CIF] data_AlAs2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00825546 _cell_length_b 3.00825546 _cell_length_c 8.13133523 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlAs2Au _chemical_formula_sum 'Al1 As2 Au1' _cell_volume 73.58533872 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.01808878 1 As As1 1 1.50412773 1.50412773 7.87149671 1 As As2 1 0.00000000 0.00000000 2.12560706 1 Au Au3 1 1.50412773 1.50412773 4.31314553 1 [/CIF]
AlAs2Au
P4mm
99
tetragonal
4mm
8,435.037194
false
[CIF] data_InRu2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.47245789 _cell_length_b 8.47245789 _cell_length_c 8.47245789 _cell_angle_alpha 20.41008109 _cell_angle_beta 20.41008109 _cell_angle_gamma 20.41008109 _symmetry_Int_Tables_number 1 _chemical_formula_structural InRu2Cl _chemical_formula_sum 'In1 Ru2 Cl1' _cell_volume 64.73241829 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 0.00000000 0.00000000 12.43989664 1 Ru Ru2 1 0.00000000 0.00000000 18.53034065 1 Ru Ru3 1 0.00000000 0.00000000 6.34945262 1 [/CIF]
ClInRu2
R-3m
166
trigonal
-3m
9,040.172596
false
[CIF] data_AlFeRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89126643 _cell_length_b 4.89126643 _cell_length_c 2.68008617 _cell_angle_alpha 99.09025775 _cell_angle_beta 99.09025775 _cell_angle_gamma 116.18869389 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlFeRe2 _chemical_formula_sum 'Al1 Fe1 Re2' _cell_volume 54.90664306 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 2.58514238 0.00000000 0.00000000 1 Re Re2 1 0.89199449 -2.07614584 1.27877041 1 Re Re3 1 0.89199449 2.07614584 1.27877041 1 [/CIF]
AlFeRe2
C2/m
12
monoclinic
2/m
13,767.818553
false
[CIF] data_AlZnPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86461524 _cell_length_b 2.86461524 _cell_length_c 7.15599766 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlZnPt2 _chemical_formula_sum 'Al1 Zn1 Pt2' _cell_volume 58.72226330 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 1.43230762 1.43230762 1.69067078 1 Pt Pt2 1 1.43230762 1.43230762 5.46532688 1 Zn Zn3 1 0.00000000 0.00000000 3.57799883 1 [/CIF]
AlPt2Zn
P4/mmm
123
tetragonal
4/mmm
13,644.895557
false
[CIF] data_ZrScPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72929876 _cell_length_b 5.72929876 _cell_length_c 5.72929876 _cell_angle_alpha 145.77270202 _cell_angle_beta 145.77270202 _cell_angle_gamma 49.18450028 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrScPt _chemical_formula_sum 'Zr1 Sc1 Pt1' _cell_volume 59.23168077 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.01286085 1 Sc Sc1 1 0.00000000 0.00000000 6.81001471 1 Zr Zr2 1 -0.00000000 0.00000000 3.59634015 1 [/CIF]
PtScZr
I4mm
107
tetragonal
4mm
9,286.86769
false
[CIF] data_ZnNi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44324481 _cell_length_b 4.44324481 _cell_length_c 2.64777765 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.99176636 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnNi2Ir _chemical_formula_sum 'Zn1 Ni2 Ir1' _cell_volume 49.71742139 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.61193205 0.00000000 0.00000000 1 Ni Ni1 1 1.30596602 -1.79723645 1.32388882 1 Ni Ni2 1 1.30596603 1.79723645 1.32388882 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrNi2Zn
Cmmm
65
orthorhombic
mmm
12,524.286896
false
[CIF] data_CaIrBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60471231 _cell_length_b 3.60471231 _cell_length_c 6.89056374 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaIrBr2 _chemical_formula_sum 'Ca1 Ir1 Br2' _cell_volume 89.53564648 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80235616 1.80235616 5.19307240 1 Br Br1 1 1.80235616 1.80235616 1.69749134 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Ir Ir3 1 0.00000000 0.00000000 3.44528187 1 [/CIF]
Br2CaIr
P4/mmm
123
tetragonal
4/mmm
7,271.990265
false
[CIF] data_CaZr2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35346141 _cell_length_b 3.35346141 _cell_length_c 8.22744884 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZr2Ir _chemical_formula_sum 'Ca1 Zr2 Ir1' _cell_volume 92.52344963 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.50853583 1 Ir Ir1 1 1.67673070 1.67673070 6.45832281 1 Zr Zr2 1 0.00000000 0.00000000 7.88054669 1 Zr Zr3 1 1.67673070 1.67673070 1.72121669 1 [/CIF]
CaIrZr2
P4mm
99
tetragonal
4mm
7,443.485483
false
[CIF] data_CaAlTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77083860 _cell_length_b 5.77083860 _cell_length_c 5.77083860 _cell_angle_alpha 146.40748915 _cell_angle_beta 144.34708969 _cell_angle_gamma 49.79259360 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAlTc _chemical_formula_sum 'Ca1 Al1 Tc1' _cell_volume 61.68543166 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.90820922 1 Ca Ca1 1 0.00000000 0.00000000 7.03174725 1 Tc Tc2 1 0.00000000 -0.00000000 3.99829009 1 [/CIF]
AlCaTc
Imm2
44
orthorhombic
mm2
4,467.709559
false
[CIF] data_Cr2FeNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.40900000 _cell_length_b 2.40900000 _cell_length_c 7.83233878 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 100.90473065 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2FeNi _chemical_formula_sum 'Cr2 Fe1 Ni1' _cell_volume 44.63251754 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 1.53385731 -0.00000000 5.85965186 1 Cr Cr1 1 1.53385731 -0.00000000 1.97268692 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 0.00000000 0.00000000 3.91616939 1 [/CIF]
Cr2FeNi
Cmmm
65
orthorhombic
mmm
8,130.363657
false
[CIF] data_ReMoSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25629435 _cell_length_b 4.25629435 _cell_length_c 4.25629435 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReMoSe _chemical_formula_sum 'Re1 Mo1 Se1' _cell_volume 54.52302800 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.51448190 4.51448190 4.51448190 1 Re Re1 1 3.00965460 3.00965460 3.00965460 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoReSe
F-43m
216
cubic
-43m
10,998.389368
false
[CIF] data_YCoB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81331079 _cell_length_b 2.81331079 _cell_length_c 5.97385898 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCoB2 _chemical_formula_sum 'Y1 Co1 B2' _cell_volume 47.28140682 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.50104607 1 B B1 1 1.40665540 1.40665540 1.46517040 1 Co Co2 1 0.00000000 0.00000000 2.40207060 1 Y Y3 1 1.40665540 1.40665540 4.59250141 1 [/CIF]
B2CoY
P4mm
99
tetragonal
4mm
5,951.529458
false
[CIF] data_MgNbMo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28671181 _cell_length_b 5.28671181 _cell_length_c 5.28671181 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNbMo4 _chemical_formula_sum 'Mg1 Nb1 Mo4' _cell_volume 104.48210458 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 4.67796019 4.67796019 2.79857935 1 Mo Mo2 1 4.67796019 2.79857935 4.67796019 1 Mo Mo3 1 2.79857935 4.67796019 4.67796019 1 Mo Mo4 1 2.79857935 2.79857935 2.79857935 1 Nb Nb5 1 5.60740466 5.60740466 5.60740466 1 [/CIF]
MgMo4Nb
F-43m
216
cubic
-43m
7,963.233457
false
[CIF] data_K4MgIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.48932016 _cell_length_b 7.48932016 _cell_length_c 7.48932016 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K4MgIn _chemical_formula_sum 'K4 Mg1 In1' _cell_volume 297.03812274 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.64787454 2.64787454 2.64787454 1 K K1 1 3.97457848 3.97457848 6.61691966 1 K K2 1 3.97457848 6.61691966 3.97457848 1 K K3 1 6.61691966 3.97457848 3.97457848 1 K K4 1 6.61691966 6.61691966 6.61691966 1 Mg Mg5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InK4Mg
F-43m
216
cubic
-43m
1,652.031027
false
[CIF] data_Hf2TaRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20024940 _cell_length_b 3.20024940 _cell_length_c 7.33751742 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2TaRu _chemical_formula_sum 'Hf2 Ta1 Ru1' _cell_volume 75.14789069 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 7.26235637 1 Hf Hf1 1 1.60012470 1.60012470 2.04752396 1 Ru Ru2 1 0.00000000 0.00000000 3.75282501 1 Ta Ta3 1 1.60012470 1.60012470 5.28108821 1 [/CIF]
Hf2RuTa
P4mm
99
tetragonal
4mm
14,119.903213
false
[CIF] data_HfCdMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67960377 _cell_length_b 4.67960377 _cell_length_c 4.67960377 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCdMo2 _chemical_formula_sum 'Hf1 Cd1 Mo2' _cell_volume 72.46232242 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.30897956 3.30897956 3.30897956 1 Mo Mo2 1 4.96346934 4.96346934 4.96346934 1 Mo Mo3 1 1.65448978 1.65448978 1.65448978 1 [/CIF]
CdHfMo2
Fm-3m
225
cubic
m-3m
11,064.27597
false
[CIF] data_AlCrCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.60291504 _cell_length_b 2.60291504 _cell_length_c 6.91328210 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCrCo2 _chemical_formula_sum 'Al1 Cr1 Co2' _cell_volume 46.83863871 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.26081017 1 Co Co1 1 1.30145752 1.30145752 0.06846942 1 Co Co2 1 0.00000000 0.00000000 1.68727478 1 Cr Cr3 1 1.30145752 1.30145752 3.35336885 1 [/CIF]
AlCo2Cr
P4mm
99
tetragonal
4mm
6,978.58026
false
[CIF] data_MnTlTc4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14916750 _cell_length_b 5.14916750 _cell_length_c 5.14916750 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTlTc4 _chemical_formula_sum 'Mn1 Tl1 Tc4' _cell_volume 96.53750308 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.55012910 4.55012910 2.73189342 1 Tc Tc2 1 4.55012910 2.73189342 4.55012910 1 Tc Tc3 1 2.73189342 4.55012910 4.55012910 1 Tc Tc4 1 2.73189342 2.73189342 2.73189342 1 Tl Tl5 1 5.46151689 5.46151689 5.46151689 1 [/CIF]
MnTc4Tl
F-43m
216
cubic
-43m
11,265.711517
false
[CIF] data_La2TaSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46256361 _cell_length_b 3.46256361 _cell_length_c 8.95036595 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TaSe _chemical_formula_sum 'La2 Ta1 Se1' _cell_volume 107.30904094 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.42395752 1 La La1 1 1.73128180 1.73128180 2.82880451 1 Se Se2 1 0.00000000 0.00000000 4.96930189 1 Ta Ta3 1 1.73128180 1.73128180 6.15385096 1 [/CIF]
La2SeTa
P4mm
99
tetragonal
4mm
8,320.869709
false
[CIF] data_Zr2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65941516 _cell_length_b 5.65941516 _cell_length_c 7.18347006 _cell_angle_alpha 110.60242021 _cell_angle_beta 110.60242021 _cell_angle_gamma 33.79930287 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Re _chemical_formula_sum 'Zr4 Re2' _cell_volume 119.02016179 _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 Re Re0 1 6.47324938 -0.00000000 6.20415438 1 Re Re1 1 1.71496747 0.00000000 0.47589518 1 Zr Zr2 1 0.29239016 -0.00000000 4.03700976 1 Zr Zr3 1 4.83510263 -0.00000000 1.47679019 1 Zr Zr4 1 3.35311423 0.00000000 5.20325937 1 Zr Zr5 1 7.89582669 -0.00000000 2.64303980 1 [/CIF]
Re2Zr4
C2/m
12
monoclinic
2/m
10,286.761846
false
[CIF] data_LiMgPtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45642919 _cell_length_b 4.45642919 _cell_length_c 4.45642919 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgPtAu _chemical_formula_sum 'Li1 Mg1 Pt1 Au1' _cell_volume 62.58150928 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.72675695 4.72675695 4.72675695 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 3.15117130 3.15117130 3.15117130 1 Pt Pt3 1 1.57558565 1.57558565 1.57558565 1 [/CIF]
AuLiMgPt
F-43m
216
cubic
-43m
11,231.759951
false
[CIF] data_TaNbCoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43491276 _cell_length_b 4.43491276 _cell_length_c 4.43491276 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNbCoOs _chemical_formula_sum 'Ta1 Nb1 Co1 Os1' _cell_volume 61.67941516 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 4.70393533 4.70393534 4.70393534 1 Os Os2 1 3.13595689 3.13595689 3.13595689 1 Ta Ta3 1 1.56797844 1.56797844 1.56797845 1 [/CIF]
CoNbOsTa
F-43m
216
cubic
-43m
14,080.725544
false
[CIF] data_SrLi2La _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.88609315 _cell_length_b 6.88609315 _cell_length_c 6.88609315 _cell_angle_alpha 148.39241657 _cell_angle_beta 129.77280099 _cell_angle_gamma 60.56719522 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLi2La _chemical_formula_sum 'Sr1 Li2 La1' _cell_volume 130.36735621 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87538563 0.00000000 2.67782359 1 Li Li1 1 0.00000000 0.00000000 11.51881642 1 Li Li2 1 0.00000000 2.92255677 3.38588398 1 Sr Sr3 1 -0.00000000 0.00000000 6.20314200 1 [/CIF]
LaLi2Sr
Imm2
44
orthorhombic
mm2
3,062.162243
false
[CIF] data_HfOs2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04231940 _cell_length_b 3.46168307 _cell_length_c 6.20159672 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfOs2W _chemical_formula_sum 'Hf1 Os2 W1' _cell_volume 65.31239840 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Os Os1 1 1.52115970 1.73084153 1.60846206 1 Os Os2 1 1.52115970 1.73084153 4.59313466 1 W W3 1 0.00000000 0.00000000 3.10079836 1 [/CIF]
HfOs2W
Pmmm
47
orthorhombic
mmm
18,885.109771
false
[CIF] data_NaV2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50293336 _cell_length_b 5.50293336 _cell_length_c 2.44224528 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 125.52588204 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaV2Cu _chemical_formula_sum 'Na1 V2 Cu1' _cell_volume 60.18992710 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.51854461 0.00000000 0.00000000 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.25927230 2.44638553 1.22112264 1 V V3 1 1.25927231 -2.44638553 1.22112264 1 [/CIF]
CuNaV2
Cmmm
65
orthorhombic
mmm
5,198.157605
false
[CIF] data_CaCuRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.59912778 _cell_length_b 4.78240114 _cell_length_c 5.43839671 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCuRe2 _chemical_formula_sum 'Ca1 Cu1 Re2' _cell_volume 67.59966081 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 0.00000000 0.00000000 2.71919836 1 Re Re2 1 1.29956389 2.39120057 3.99702662 1 Re Re3 1 1.29956389 2.39120057 1.44137009 1 [/CIF]
CaCuRe2
Pmmm
47
orthorhombic
mmm
11,693.545303
false
[CIF] data_CuTcOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73227320 _cell_length_b 3.86216474 _cell_length_c 5.27842085 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuTcOs2 _chemical_formula_sum 'Cu1 Tc1 Os2' _cell_volume 55.70047908 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.96333365 1 Os Os1 1 1.36613660 1.93108237 5.24335356 1 Os Os2 1 0.00000000 0.00000000 1.30930744 1 Tc Tc3 1 1.36613660 1.93108237 2.68005748 1 [/CIF]
CuOs2Tc
Pmm2
25
orthorhombic
mm2
16,185.263263
false
[CIF] data_MoPtS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63346535 _cell_length_b 4.63346535 _cell_length_c 4.63346535 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoPtS3 _chemical_formula_sum 'Mo1 Pt1 S3' _cell_volume 99.47587293 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 S S1 1 0.00000000 2.31673267 0.00000000 1 S S2 1 0.00000000 0.00000000 2.31673267 1 S S3 1 2.31673267 0.00000000 0.00000000 1 Pt Pt4 1 2.31673267 2.31673267 2.31673267 1 [/CIF]
MoPtS3
Pm-3m
221
cubic
m-3m
6,464.135159
false
[CIF] data_AlSiSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71989786 _cell_length_b 4.71989786 _cell_length_c 3.33817544 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSiSe2 _chemical_formula_sum 'Al1 Si1 Se2' _cell_volume 74.36598908 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 0.00000000 2.35994893 1.66908772 1 Se Se2 1 2.35994893 0.00000000 1.66908772 1 Si Si3 1 2.35994893 2.35994893 0.00000000 1 [/CIF]
AlSe2Si
P4/mmm
123
tetragonal
4/mmm
4,755.847433
false
[CIF] data_TiMnGaCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30502906 _cell_length_b 4.30502906 _cell_length_c 4.30502906 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMnGaCu _chemical_formula_sum 'Ti1 Mn1 Ga1 Cu1' _cell_volume 56.41742545 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52205762 1.52205762 1.52205762 1 Ga Ga1 1 4.56617286 4.56617286 4.56617286 1 Mn Mn2 1 3.04411524 3.04411524 3.04411524 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuGaMnTi
F-43m
216
cubic
-43m
6,948.388219
false
[CIF] data_HgBiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37700818 _cell_length_b 4.37700818 _cell_length_c 4.81141546 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgBiAu _chemical_formula_sum 'Hg1 Bi1 Au1' _cell_volume 79.82854399 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 4.80192441 1 Bi Bi1 1 2.18850409 1.26353343 1.43814560 1 Hg Hg2 1 -0.00000000 2.52706685 3.38276091 1 [/CIF]
AuBiHg
P3m1
156
trigonal
3m
12,616.769423
false
[CIF] data_AlNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85528691 _cell_length_b 3.85528691 _cell_length_c 3.85528691 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlNi2 _chemical_formula_sum 'Al1 Ni2' _cell_volume 40.51866376 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.08914928 4.08914928 4.08914928 1 Ni Ni2 1 1.36304976 1.36304976 1.36304976 1 [/CIF]
AlNi2
Fm-3m
225
cubic
m-3m
5,916.514613
false
[CIF] data_Ca2ZnBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54888484 _cell_length_b 5.54888484 _cell_length_c 3.51633920 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2ZnBr _chemical_formula_sum 'Ca2 Zn1 Br1' _cell_volume 108.26851619 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.77444242 2.77444242 0.00000000 1 Ca Ca1 1 0.00000000 2.77444242 1.75816960 1 Ca Ca2 1 2.77444242 0.00000000 1.75816960 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrCa2Zn
P4/mmm
123
tetragonal
4/mmm
3,457.80672
false
[CIF] data_BeGaGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04301393 _cell_length_b 4.04301393 _cell_length_c 4.04343952 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeGaGe2 _chemical_formula_sum 'Be1 Ga1 Ge2' _cell_volume 66.09390728 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 2.02150696 2.02150696 0.00000000 1 Ge Ge2 1 2.02150696 0.00000000 2.02171976 1 Ge Ge3 1 0.00000000 2.02150696 2.02171976 1 [/CIF]
BeGaGe2
P4/mmm
123
tetragonal
4/mmm
5,628.142994
false
[CIF] data_Li2NbPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61054428 _cell_length_b 5.61054428 _cell_length_c 5.61054428 _cell_angle_alpha 151.23428825 _cell_angle_beta 130.21818591 _cell_angle_gamma 58.51368405 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2NbPd _chemical_formula_sum 'Li2 Nb1 Pd1' _cell_volume 64.43644739 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.39365951 0.00000000 2.64601332 1 Li Li1 1 -0.00000000 2.36143241 2.24883676 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 4.89485008 1 [/CIF]
Li2NbPd
Immm
71
orthorhombic
mmm
5,494.419054
false
[CIF] data_ScB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49234645 _cell_length_b 3.49234645 _cell_length_c 3.49234645 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScB _chemical_formula_sum 'Sc1 B1' _cell_volume 30.11875142 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 2.46946186 2.46946186 2.46946186 1 [/CIF]
B2Sc2
Fm-3m
225
cubic
m-3m
3,074.600848
false
[CIF] data_HfAg2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87652025 _cell_length_b 2.87652025 _cell_length_c 9.19675419 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.83982135 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAg2Mo _chemical_formula_sum 'Hf1 Ag2 Mo1' _cell_volume 72.83415899 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71425032 0.00000000 0.04736347 1 Ag Ag1 1 0.00000000 0.00000000 6.91170593 1 Hf Hf2 1 1.71425032 0.00000000 4.49686590 1 Mo Mo3 1 0.00000000 0.00000000 2.33919599 1 [/CIF]
Ag2HfMo
Cmm2
35
orthorhombic
mm2
11,175.713132
false
[CIF] data_NaY2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.50068513 _cell_length_b 10.50068513 _cell_length_c 10.50068513 _cell_angle_alpha 19.59188755 _cell_angle_beta 19.59188755 _cell_angle_gamma 19.59188755 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaY2Be _chemical_formula_sum 'Na1 Y2 Be1' _cell_volume 113.84339805 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 0.00000000 0.00000000 15.44406774 1 Y Y2 1 0.00000000 -0.00000000 8.41997600 1 Y Y3 1 0.00000000 -0.00000000 22.46815948 1 [/CIF]
BeNaY2
R-3m
166
trigonal
-3m
3,060.377418
false
[CIF] data_CaPtRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.28885121 _cell_length_b 9.28885121 _cell_length_c 9.28885121 _cell_angle_alpha 18.14188795 _cell_angle_beta 18.14188795 _cell_angle_gamma 18.14188795 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPtRh2 _chemical_formula_sum 'Ca1 Pt1 Rh2' _cell_volume 67.85570959 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.00000000 0.00000000 13.70044945 1 Rh Rh2 1 0.00000000 0.00000000 6.73204273 1 Rh Rh3 1 0.00000000 0.00000000 20.66885618 1 [/CIF]
CaPtRh2
R-3m
166
trigonal
-3m
10,791.3232
false
[CIF] data_Ta3CrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58679090 _cell_length_b 4.58679090 _cell_length_c 4.58679090 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3CrAu _chemical_formula_sum 'Ta3 Cr1 Au1' _cell_volume 96.49989186 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 2.29339545 2.29339545 2.29339545 1 Ta Ta2 1 0.00000000 2.29339545 0.00000000 1 Ta Ta3 1 0.00000000 0.00000000 2.29339545 1 Ta Ta4 1 2.29339545 0.00000000 0.00000000 1 [/CIF]
AuCrTa3
Pm-3m
221
cubic
m-3m
13,625.148008
false
[CIF] data_Ag3Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78613115 _cell_length_b 2.78613115 _cell_length_c 8.70560004 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag3Ir _chemical_formula_sum 'Ag3 Ir1' _cell_volume 67.57745353 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.39306558 1.39306558 2.24562233 1 Ag Ag1 1 1.39306558 1.39306558 6.45997771 1 Ag Ag2 1 0.00000000 0.00000000 0.00000000 1 Ir Ir3 1 0.00000000 0.00000000 4.35280002 1 [/CIF]
Ag3Ir
P4/mmm
123
tetragonal
4/mmm
12,674.965887
false
[CIF] data_CrAgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82501910 _cell_length_b 2.82501910 _cell_length_c 6.73439576 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAgGe _chemical_formula_sum 'Cr1 Ag1 Ge1' _cell_volume 46.54489387 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.41250957 0.81551276 0.05454261 1 Cr Cr1 1 0.00000000 0.00000000 2.35352963 1 Ge Ge2 1 0.00000001 1.63102553 4.32632352 1 [/CIF]
AgCrGe
P3m1
156
trigonal
3m
8,294.84056
false
[CIF] data_KLaPtPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45706765 _cell_length_b 5.45706765 _cell_length_c 5.45706765 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLaPtPb _chemical_formula_sum 'K1 La1 Pt1 Pb1' _cell_volume 114.91137330 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 3.85872954 3.85872954 3.85872954 1 Pb Pb2 1 1.92936477 1.92936477 1.92936477 1 Pt Pt3 1 5.78809431 5.78809431 5.78809431 1 [/CIF]
KLaPbPt
F-43m
216
cubic
-43m
8,385.510366
false
[CIF] data_Mn2BeW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.53436108 _cell_length_b 3.99827570 _cell_length_c 4.71557727 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.25294246 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2BeW _chemical_formula_sum 'Mn2 Be1 W1' _cell_volume 47.16154402 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 1.65216675 1.99913785 1.04959138 1 Mn Mn2 1 0.12396132 1.99913785 3.60462731 1 W W3 1 0.88806404 0.00000000 2.32710935 1 [/CIF]
BeMn2W
P2/m
10
monoclinic
2/m
10,658.94115
false
[CIF] data_K3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.63751612 _cell_length_b 7.63751612 _cell_length_c 17.58471367 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3Rh _chemical_formula_sum 'K18 Rh6' _cell_volume 888.32157994 _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 K K0 1 5.48672326 3.16776115 4.39617842 1 K K1 1 2.15079286 3.16776115 4.39617842 1 K K2 1 3.81875806 0.27876068 4.39617842 1 K K3 1 -1.66796520 3.44652183 13.18853525 1 K K4 1 1.66796520 3.44652183 13.18853525 1 K K5 1 0.00000000 6.33552231 13.18853525 1 K K6 1 1.89732596 5.50494364 7.27666319 1 K K7 1 -1.89732596 5.50494364 7.27666319 1 K K8 1 -0.00000000 2.21867868 7.27666319 1 K K9 1 1.89732596 5.50494364 1.51569364 1 K K10 1 -1.89732596 5.50494364 1.51569364 1 K K11 1 -0.00000000 2.21867868 1.51569364 1 K K12 1 1.92143210 1.10933934 10.30805048 1 K K13 1 5.71608402 1.10933934 10.30805048 1 K K14 1 3.81875806 4.39560430 10.30805048 1 K K15 1 1.92143210 1.10933934 16.06902003 1 K K16 1 5.71608402 1.10933934 16.06902003 1 K K17 1 3.81875806 4.39560430 16.06902003 1 Rh Rh18 1 0.00000000 0.00000000 4.39617842 1 Rh Rh19 1 0.00000000 0.00000000 13.18853525 1 Rh Rh20 1 -0.00000000 4.40952199 16.19540171 1 Rh Rh21 1 -0.00000000 4.40952199 10.18166879 1 Rh Rh22 1 3.81875806 2.20476099 7.40304488 1 Rh Rh23 1 3.81875806 2.20476099 1.38931196 1 [/CIF]
K18Rh6
P6_3/mmc
194
hexagonal
6/mmm
2,469.722958
false
[CIF] data_MgScTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13724169 _cell_length_b 3.13724169 _cell_length_c 6.87111802 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgScTc _chemical_formula_sum 'Mg1 Sc1 Tc1' _cell_volume 58.56713694 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.65507014 1 Sc Sc1 1 -0.00000000 1.81128733 2.57518063 1 Tc Tc2 1 1.56862084 0.90564367 4.51198527 1 [/CIF]
MgScTc
P3m1
156
trigonal
3m
4,767.999157
false
[CIF] data_CaMnAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84787837 _cell_length_b 4.84787837 _cell_length_c 4.84787837 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMnAg2 _chemical_formula_sum 'Ca1 Mn1 Ag2' _cell_volume 80.56383803 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.42796767 3.42796767 3.42796767 1 Ag Ag1 1 5.14195150 5.14195151 5.14195151 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Mn Mn3 1 1.71398383 1.71398383 1.71398383 1 [/CIF]
Ag2CaMn
F-43m
216
cubic
-43m
6,405.06445
false
[CIF] data_GaAgOsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41224046 _cell_length_b 4.41224046 _cell_length_c 4.41224046 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAgOsRu _chemical_formula_sum 'Ga1 Ag1 Os1 Ru1' _cell_volume 60.73828439 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.67988773 4.67988773 4.67988773 1 Ga Ga1 1 -0.00000000 -0.00000000 0.00000000 1 Os Os2 1 1.55996257 1.55996257 1.55996258 1 Ru Ru3 1 3.11992515 3.11992515 3.11992515 1 [/CIF]
AgGaOsRu
F-43m
216
cubic
-43m
12,819.133162
false
[CIF] data_BiBIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42548292 _cell_length_b 4.42548292 _cell_length_c 4.42548292 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiBIr _chemical_formula_sum 'Bi1 B1 Ir1' _cell_volume 61.28680874 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 4.69393347 4.69393347 4.69393347 1 Ir Ir2 1 3.12928898 3.12928898 3.12928898 1 [/CIF]
BBiIr
F-43m
216
cubic
-43m
11,163.185978
false
[CIF] data_Gd2UNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23968677 _cell_length_b 5.23968677 _cell_length_c 5.23968677 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd2UNb _chemical_formula_sum 'Gd2 U1 Nb1' _cell_volume 101.71874181 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Gd Gd0 1 5.55752707 5.55752707 5.55752707 1 Gd Gd1 1 1.85250902 1.85250902 1.85250902 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 U U3 1 3.70501805 3.70501805 3.70501805 1 [/CIF]
Gd2NbU
Fm-3m
225
cubic
m-3m
10,536.608052
false
[CIF] data_ReSb2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86865648 _cell_length_b 4.86865648 _cell_length_c 4.86865648 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSb2Cl _chemical_formula_sum 'Re1 Sb2 Cl1' _cell_volume 81.60417924 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 5.16399002 5.16399002 5.16399002 1 Sb Sb2 1 3.44266001 3.44266001 3.44266001 1 Sb Sb3 1 1.72133001 1.72133001 1.72133001 1 [/CIF]
ClReSb2
F-43m
216
cubic
-43m
9,465.815237
false
[CIF] data_GaSbSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89808188 _cell_length_b 4.89808188 _cell_length_c 4.89808188 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSbSe _chemical_formula_sum 'Ga1 Sb1 Se1' _cell_volume 83.09274837 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 1.73173346 1.73173346 1.73173346 1 Se Se2 1 3.46346691 3.46346691 3.46346691 1 [/CIF]
GaSbSe
F-43m
216
cubic
-43m
5,404.577122
false
[CIF] data_HfCuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20255971 _cell_length_b 4.20255971 _cell_length_c 4.20255971 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCuRh _chemical_formula_sum 'Hf1 Cu1 Rh1' _cell_volume 52.48397021 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 1.48582923 1.48582923 1.48582923 1 Rh Rh2 1 4.45748771 4.45748771 4.45748771 1 [/CIF]
CuHfRh
F-43m
216
cubic
-43m
10,913.595792
false
[CIF] data_ZnCoSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06601452 _cell_length_b 7.06601452 _cell_length_c 7.06601452 _cell_angle_alpha 30.84043615 _cell_angle_beta 30.84043615 _cell_angle_gamma 30.84043615 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCoSb2 _chemical_formula_sum 'Zn1 Co1 Sb2' _cell_volume 82.23159320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 -0.00000000 0.00000000 5.35966057 1 Sb Sb2 1 -0.00000000 -0.00000000 14.81450990 1 Zn Zn3 1 -0.00000000 -0.00000000 10.08708523 1 [/CIF]
CoSb2Zn
R-3m
166
trigonal
-3m
7,449.132217
false
[CIF] data_ZnMoIrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37029002 _cell_length_b 4.37029002 _cell_length_c 4.37029002 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnMoIrOs _chemical_formula_sum 'Zn1 Mo1 Ir1 Os1' _cell_volume 59.02225227 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.63539257 4.63539257 4.63539257 1 Mo Mo1 1 3.09026171 3.09026171 3.09026171 1 Os Os2 1 1.54513086 1.54513086 1.54513086 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrMoOsZn
F-43m
216
cubic
-43m
15,298.968147
false
[CIF] data_BaFe2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89520794 _cell_length_b 6.46967152 _cell_length_c 6.46967152 _cell_angle_alpha 38.61048912 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaFe2Pb _chemical_formula_sum 'Ba1 Fe2 Pb1' _cell_volume 101.74087510 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.07722709 1 Fe Fe1 1 1.94760397 -0.00000000 9.57570109 1 Fe Fe2 1 0.00000000 -0.00000000 8.30796105 1 Pb Pb3 1 1.94760397 0.00000000 1.61618783 1 [/CIF]
BaFe2Pb
Amm2
38
orthorhombic
mm2
7,446.049845
false
[CIF] data_Cr3InB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09778964 _cell_length_b 4.09778964 _cell_length_c 4.09778964 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr3InB _chemical_formula_sum 'Cr3 In1 B1' _cell_volume 68.80959163 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04889482 0.00000000 1 Cr Cr1 1 0.00000000 0.00000000 2.04889482 1 Cr Cr2 1 2.04889482 0.00000000 0.00000000 1 B B3 1 0.00000000 0.00000000 0.00000000 1 In In4 1 2.04889482 2.04889482 2.04889482 1 [/CIF]
BCr3In
Pm-3m
221
cubic
m-3m
6,796.0951
false
[CIF] data_ZnCu2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79473317 _cell_length_b 3.55076262 _cell_length_c 5.25435908 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCu2P _chemical_formula_sum 'Zn1 Cu2 P1' _cell_volume 52.14128593 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.39736659 1.77538131 3.95335697 1 Cu Cu1 1 1.39736659 1.77538131 1.30100211 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 2.62717954 1 [/CIF]
Cu2PZn
Pmmm
47
orthorhombic
mmm
7,116.058043
false