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_ZrNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91427097 _cell_length_b 4.91427097 _cell_length_c 4.57734550 _cell_angle_alpha 102.15896568 _cell_angle_beta 102.15896568 _cell_angle_gamma 38.25714927 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNi _chemical_formula_sum 'Zr2 Ni2' _cell_volume 66.72485825 _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 Ni Ni0 1 3.24026975 -0.00000000 0.60774350 1 Ni Ni1 1 5.02514973 0.00000000 3.85440654 1 Zr Zr2 1 0.73516453 -0.00000000 1.43167258 1 Zr Zr3 1 7.53025496 -0.00000000 3.03047745 1 [/CIF]
Ni2Zr2
C2/m
12
monoclinic
2/m
7,461.797776
false
[CIF] data_Y2NiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46438149 _cell_length_b 3.46438149 _cell_length_c 7.57907415 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2NiIr _chemical_formula_sum 'Y2 Ni1 Ir1' _cell_volume 90.96358645 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73219075 1.73219075 4.06622922 1 Ni Ni1 1 0.00000000 0.00000000 5.47703612 1 Y Y2 1 1.73219075 1.73219075 6.83574478 1 Y Y3 1 0.00000000 0.00000000 2.56867525 1 [/CIF]
IrNiY2
P4mm
99
tetragonal
4mm
7,826.316261
false
[CIF] data_Al2ReB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17702098 _cell_length_b 4.17702098 _cell_length_c 4.17702098 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2ReB _chemical_formula_sum 'Al2 Re1 B1' _cell_volume 51.53294616 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.43039979 4.43039979 4.43039979 1 Al Al1 1 1.47679993 1.47679993 1.47679993 1 B B2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 2.95359986 2.95359986 2.95359986 1 [/CIF]
Al2BRe
Fm-3m
225
cubic
m-3m
8,087.328879
false
[CIF] data_KSrGaPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45464025 _cell_length_b 5.45464025 _cell_length_c 5.45464025 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrGaPd _chemical_formula_sum 'K1 Sr1 Ga1 Pd1' _cell_volume 114.75809777 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 1.92850656 1.92850656 1.92850656 1 K K1 1 0.00000000 -0.00000000 0.00000000 1 Pd Pd2 1 5.78551967 5.78551967 5.78551967 1 Sr Sr3 1 3.85701311 3.85701311 3.85701311 1 [/CIF]
GaKPdSr
F-43m
216
cubic
-43m
4,382.375015
false
[CIF] data_CaTm2Th _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71015605 _cell_length_b 5.71015605 _cell_length_c 5.71015605 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTm2Th _chemical_formula_sum 'Ca1 Tm2 Th1' _cell_volume 131.65244636 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Th Th1 1 4.03769007 4.03769007 4.03769007 1 Tm Tm2 1 2.01884503 2.01884503 2.01884503 1 Tm Tm3 1 6.05653510 6.05653510 6.05653510 1 [/CIF]
CaThTm2
Fm-3m
225
cubic
m-3m
7,693.765571
false
[CIF] data_Co3Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02842440 _cell_length_b 4.02842440 _cell_length_c 4.02842440 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co3Ge _chemical_formula_sum 'Co3 Ge1' _cell_volume 46.22646198 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.27278932 4.27278932 4.27278932 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Co Co2 1 1.42426311 1.42426311 1.42426311 1 Ge Ge3 1 2.84852621 2.84852621 2.84852621 1 [/CIF]
Co3Ge
Fm-3m
225
cubic
m-3m
8,960.32614
false
[CIF] data_BaYInRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23061795 _cell_length_b 5.23061795 _cell_length_c 5.23061795 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYInRe _chemical_formula_sum 'Ba1 Y1 In1 Re1' _cell_volume 101.19149237 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.54790813 5.54790813 5.54790813 1 In In1 1 3.69860542 3.69860542 3.69860542 1 Re Re2 1 1.84930271 1.84930271 1.84930271 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaInReY
F-43m
216
cubic
-43m
8,652.231898
false
[CIF] data_Sr2LiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.27155502 _cell_length_b 6.27155502 _cell_length_c 6.27155502 _cell_angle_alpha 132.22003750 _cell_angle_beta 132.22003750 _cell_angle_gamma 69.88172281 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2LiSn _chemical_formula_sum 'Sr2 Li1 Sn1' _cell_volume 132.65834676 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 2.53986510 0.00000000 2.57053365 1 Sr Sr2 1 0.00000000 -0.00000000 5.14106729 1 Sr Sr3 1 -0.00000000 2.53986510 2.57053365 1 [/CIF]
LiSnSr2
I-4m2
119
tetragonal
-42m
3,766.376353
false
[CIF] data_HfVCdBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02057268 _cell_length_b 5.02057268 _cell_length_c 5.02057268 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfVCdBi _chemical_formula_sum 'Hf1 V1 Cd1 Bi1' _cell_volume 89.48387420 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.32512149 5.32512149 5.32512149 1 Cd Cd1 1 3.55008099 3.55008099 3.55008099 1 Hf Hf2 1 1.77504050 1.77504050 1.77504050 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCdHfV
F-43m
216
cubic
-43m
10,221.539383
false
[CIF] data_CaP2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82047361 _cell_length_b 4.82047361 _cell_length_c 4.82047361 _cell_angle_alpha 127.06081976 _cell_angle_beta 107.12249853 _cell_angle_gamma 95.90745398 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaP2Pd _chemical_formula_sum 'Ca1 P2 Pd1' _cell_volume 79.44261550 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 -0.00000000 2.86318356 1.11174485 1 P P2 1 2.14859481 -0.00000000 2.11667366 1 Pd Pd3 1 -0.00000000 0.00000000 3.22841851 1 [/CIF]
CaP2Pd
Immm
71
orthorhombic
mmm
4,357.005792
false
[CIF] data_PIrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44953818 _cell_length_b 4.44953818 _cell_length_c 4.44953818 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PIrPb _chemical_formula_sum 'P1 Ir1 Pb1' _cell_volume 62.29164717 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.71944793 4.71944793 4.71944793 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 1.57314931 1.57314931 1.57314931 1 [/CIF]
IrPPb
F-43m
216
cubic
-43m
11,473.138159
false
[CIF] data_CI2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.69847520 _cell_length_b 9.69847520 _cell_length_c 9.69847520 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CI2 _chemical_formula_sum 'C8 I16' _cell_volume 645.05297233 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 13.14356648 7.43000626 7.43000626 1 C C1 1 7.43000626 13.14356648 7.43000626 1 C C2 1 7.43000626 7.43000626 13.14356648 1 C C3 1 13.14356648 13.14356648 13.14356648 1 C C4 1 4.00107747 2.85678011 2.85678011 1 C C5 1 2.85678011 4.00107747 2.85678011 1 C C6 1 2.85678011 2.85678011 4.00107747 1 C C7 1 4.00107747 4.00107747 4.00107747 1 I I8 1 1.71446440 1.71446440 1.71446439 1 I I9 1 5.14339319 5.14339319 1.71446440 1 I I10 1 5.14339319 1.71446440 5.14339319 1 I I11 1 1.71446440 5.14339319 5.14339319 1 I I12 1 6.85785758 6.85785758 4.29370449 1 I I13 1 6.85785758 4.29370449 6.85785758 1 I I14 1 9.42201067 6.85785758 6.85785758 1 I I15 1 4.29370449 6.85785758 6.85785758 1 I I16 1 6.85785758 9.42201067 6.85785758 1 I I17 1 6.85785758 6.85785758 9.42201067 1 I I18 1 10.28678637 10.28678637 12.85093946 1 I I19 1 10.28678637 12.85093946 10.28678637 1 I I20 1 7.72263328 10.28678637 10.28678637 1 I I21 1 12.85093946 10.28678637 10.28678637 1 I I22 1 10.28678637 7.72263328 10.28678637 1 I I23 1 10.28678637 10.28678637 7.72263328 1 [/CIF]
C8I16
Fd-3m
227
cubic
m-3m
5,474.327422
false
[CIF] data_TaZnBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47962311 _cell_length_b 4.47962311 _cell_length_c 4.47962311 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZnBr _chemical_formula_sum 'Ta1 Zn1 Br1' _cell_volume 63.56373850 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 3.16757188 3.16757188 3.16757188 1 Ta Ta1 1 4.75135782 4.75135782 4.75135782 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrTaZn
F-43m
216
cubic
-43m
8,522.481438
false
[CIF] data_Nb2GaSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65649458 _cell_length_b 4.65649458 _cell_length_c 3.11901319 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2GaSe _chemical_formula_sum 'Nb2 Ga1 Se1' _cell_volume 67.62938139 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 0.00000000 2.32824729 1.55950660 1 Nb Nb2 1 2.32824729 0.00000000 1.55950660 1 Se Se3 1 2.32824729 2.32824729 0.00000000 1 [/CIF]
GaNb2Se
P4/mmm
123
tetragonal
4/mmm
8,213.052717
false
[CIF] data_CaMg5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31529462 _cell_length_b 7.31529462 _cell_length_c 4.78961851 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 143.01740064 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg5 _chemical_formula_sum 'Ca1 Mg5' _cell_volume 154.18868568 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.32012360 -0.00000000 2.39480925 1 Mg Mg1 1 2.32012360 2.36811376 0.00000000 1 Mg Mg2 1 2.32012360 4.49875933 2.39480925 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 Mg Mg4 1 2.32012360 -4.49875933 2.39480925 1 Mg Mg5 1 2.32012360 -2.36811376 0.00000000 1 [/CIF]
CaMg5
Cmmm
65
orthorhombic
mmm
1,740.387718
false
[CIF] data_Hf2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34803400 _cell_length_b 5.34803400 _cell_length_c 3.25433100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2N _chemical_formula_sum 'Hf4 N2' _cell_volume 93.07864287 _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 Hf Hf0 1 1.57965950 1.57965950 0.00000000 1 Hf Hf1 1 3.76837450 3.76837450 0.00000000 1 Hf Hf2 1 4.25367650 1.09435750 1.62716550 1 Hf Hf3 1 1.09435750 4.25367650 1.62716550 1 N N4 1 0.00000000 0.00000000 0.00000000 1 N N5 1 2.67401700 2.67401700 1.62716550 1 [/CIF]
Hf4N2
P4_2/mnm
136
tetragonal
4/mmm
13,236.93362
false
[CIF] data_SrBeNb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20767101 _cell_length_b 4.74525351 _cell_length_c 5.32637801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBeNb2 _chemical_formula_sum 'Sr1 Be1 Nb2' _cell_volume 81.07392952 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 0.00000000 2.37262675 2.66318900 1 Nb Nb2 1 1.60383551 0.00000000 2.66318900 1 Sr Sr3 1 1.60383551 2.37262675 0.00000000 1 [/CIF]
BeNb2Sr
Pmmm
47
orthorhombic
mmm
5,784.977528
false
[CIF] data_La5Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.82150920 _cell_length_b 7.82150920 _cell_length_c 5.77173224 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 148.02617817 _symmetry_Int_Tables_number 1 _chemical_formula_structural La5Tc _chemical_formula_sum 'La5 Tc1' _cell_volume 186.97317052 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 2.15418247 -5.42587524 2.88586612 1 La La1 1 2.15418247 -1.92876121 0.00000000 1 La La2 1 2.15418247 0.00000000 2.88586612 1 La La3 1 2.15418247 1.92876121 0.00000000 1 La La4 1 2.15418247 5.42587524 2.88586612 1 Tc Tc5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La5Tc
Cmmm
65
orthorhombic
mmm
7,046.612104
false
[CIF] data_SiSb2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29285845 _cell_length_b 3.29285845 _cell_length_c 10.38934283 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.19825082 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiSb2Cl _chemical_formula_sum 'Si1 Sb2 Cl1' _cell_volume 97.36296022 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64149314 0.00000000 3.12941676 1 Sb Sb1 1 0.00000000 0.00000000 10.30941699 1 Sb Sb2 1 1.64149314 0.00000000 7.56578500 1 Si Si3 1 0.00000000 0.00000000 4.96873832 1 [/CIF]
ClSb2Si
Cmm2
35
orthorhombic
mm2
5,236.926176
false
[CIF] data_AlNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59000000 _cell_length_b 3.59000000 _cell_length_c 7.18000000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlNi3 _chemical_formula_sum 'Al2 Ni6' _cell_volume 92.53655800 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 2.69250000 0.00000000 6.28250000 1 Al Al1 1 0.89750000 0.00000000 0.89750000 1 Ni Ni2 1 2.69250000 0.00000000 2.69250000 1 Ni Ni3 1 0.89750000 0.00000000 4.48750000 1 Ni Ni4 1 0.89750000 1.79500000 6.28250000 1 Ni Ni5 1 2.69250000 1.79500000 0.89750000 1 Ni Ni6 1 0.89750000 1.79500000 2.69250000 1 Ni Ni7 1 2.69250000 1.79500000 4.48750000 1 [/CIF]
Al2Ni6
Pmma
51
orthorhombic
mmm
7,287.756475
false
[CIF] data_Hf2Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82245760 _cell_length_b 5.82245760 _cell_length_c 7.32655737 _cell_angle_alpha 103.59323797 _cell_angle_beta 103.59323797 _cell_angle_gamma 31.18062763 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Ti _chemical_formula_sum 'Hf4 Ti2' _cell_volume 124.70762769 _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 Hf Hf0 1 2.30824603 -0.00000000 6.86164777 1 Hf Hf1 1 -0.26914276 -0.00000000 2.19930226 1 Hf Hf2 1 9.69790309 -0.00000000 4.90580272 1 Hf Hf3 1 7.12051430 -0.00000000 0.24345720 1 Ti Ti4 1 6.69793232 -0.00000000 4.50743554 1 Ti Ti5 1 2.73082801 -0.00000000 2.59766944 1 [/CIF]
Hf4Ti2
C2/m
12
monoclinic
2/m
10,781.445721
false
[CIF] data_SrPt2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37217022 _cell_length_b 3.37217022 _cell_length_c 7.33689012 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrPt2W _chemical_formula_sum 'Sr1 Pt2 W1' _cell_volume 83.43168073 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.22744067 1 Pt Pt1 1 1.68608511 1.68608511 1.45285245 1 Sr Sr2 1 0.00000000 0.00000000 3.56505030 1 W W3 1 1.68608511 1.68608511 6.09688188 1 [/CIF]
Pt2SrW
P4mm
99
tetragonal
4mm
13,168.368802
false
[CIF] data_SiMo2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.92291300 _cell_length_b 8.92291300 _cell_length_c 8.92291300 _cell_angle_alpha 17.97665466 _cell_angle_beta 17.97665466 _cell_angle_gamma 17.97665466 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiMo2Rh _chemical_formula_sum 'Si1 Mo2 Rh1' _cell_volume 59.08440426 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.15312681 1 Mo Mo1 1 -0.00000000 0.00000000 6.51374792 1 Rh Rh2 1 -0.00000000 -0.00000000 12.97540048 1 Si Si3 1 0.00000000 -0.00000000 19.85203503 1 [/CIF]
Mo2RhSi
R3m
160
trigonal
3m
9,075.259997
false
[CIF] data_SrCo3P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67920115 _cell_length_b 4.67920115 _cell_length_c 4.67920115 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCo3P _chemical_formula_sum 'Sr1 Co3 P1' _cell_volume 102.45075076 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.33960057 2.33960057 2.33960057 1 Co Co1 1 2.33960057 0.00000000 2.33960057 1 Co Co2 1 2.33960057 2.33960057 0.00000000 1 Co Co3 1 0.00000000 2.33960057 2.33960057 1 P P4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co3PSr
Pm-3m
221
cubic
m-3m
4,787.785244
false
[CIF] data_Ba2NbNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48857389 _cell_length_b 3.48857389 _cell_length_c 9.37671047 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2NbNi _chemical_formula_sum 'Ba2 Nb1 Ni1' _cell_volume 114.11595217 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.74428695 1.74428695 2.00868951 1 Ba Ba1 1 1.74428695 1.74428695 7.36802096 1 Nb Nb2 1 0.00000000 0.00000000 4.68835524 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2NbNi
P4/mmm
123
tetragonal
4/mmm
6,202.56012
false
[CIF] data_ZrSc2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01612751 _cell_length_b 5.01612751 _cell_length_c 5.01612751 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc2Sn _chemical_formula_sum 'Zr1 Sc2 Sn1' _cell_volume 89.24639991 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 1.77346889 1.77346889 1.77346889 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 5.32040667 5.32040667 5.32040667 1 Zr Zr3 1 3.54693778 3.54693778 3.54693778 1 [/CIF]
Sc2SnZr
F-43m
216
cubic
-43m
5,579.000444
false
[CIF] data_NaBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68935149 _cell_length_b 3.68935149 _cell_length_c 10.91415866 _cell_angle_alpha 93.17045310 _cell_angle_beta 93.17045310 _cell_angle_gamma 57.88615095 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBe _chemical_formula_sum 'Na3 Be3' _cell_volume 125.57445406 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.62093032 0.00000000 10.74757928 1 Be Be1 1 2.14640190 0.00000000 0.14476050 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Na Na3 1 -0.34488886 0.00000000 5.44616989 1 Na Na4 1 4.18531673 0.00000000 2.51122894 1 Na Na5 1 1.58201549 0.00000000 8.38111085 1 [/CIF]
Be3Na3
C2/m
12
monoclinic
2/m
1,269.53744
false
[CIF] data_NaY2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41141666 _cell_length_b 5.41141666 _cell_length_c 5.41141666 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaY2Tl _chemical_formula_sum 'Na1 Y2 Tl1' _cell_volume 112.05156438 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tl Tl1 1 3.82644941 3.82644941 3.82644941 1 Y Y2 1 5.73967412 5.73967412 5.73967412 1 Y Y3 1 1.91322471 1.91322471 1.91322471 1 [/CIF]
NaTlY2
Fm-3m
225
cubic
m-3m
6,004.612416
false
[CIF] data_Cd2BiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53571111 _cell_length_b 3.53571111 _cell_length_c 7.17120504 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2BiPd _chemical_formula_sum 'Cd2 Bi1 Pd1' _cell_volume 89.64904890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76785555 1.76785555 5.14250118 1 Cd Cd1 1 0.00000000 0.00000000 0.24983661 1 Cd Cd2 1 1.76785555 1.76785555 1.97294408 1 Pd Pd3 1 0.00000000 0.00000000 3.39152562 1 [/CIF]
BiCd2Pd
P4mm
99
tetragonal
4mm
10,006.357132
false
[CIF] data_RhWAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82861245 _cell_length_b 2.82861245 _cell_length_c 8.16518341 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RhWAu2 _chemical_formula_sum 'Rh1 W1 Au2' _cell_volume 65.33002760 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.41430623 1.41430623 6.13125296 1 Au Au1 1 1.41430623 1.41430623 2.03393045 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 4.08259170 1 [/CIF]
Au2RhW
P4/mmm
123
tetragonal
4/mmm
17,301.285669
false
[CIF] data_KNpV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00862825 _cell_length_b 5.00862825 _cell_length_c 5.00862825 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNpV2 _chemical_formula_sum 'K1 Np1 V2' _cell_volume 88.84671978 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Np Np1 1 3.54163500 3.54163500 3.54163500 1 V V2 1 5.31245250 5.31245250 5.31245250 1 V V3 1 1.77081750 1.77081750 1.77081750 1 [/CIF]
KNpV2
Fm-3m
225
cubic
m-3m
7,064.444434
false
[CIF] data_La2ZnCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25082709 _cell_length_b 5.25082709 _cell_length_c 5.25082709 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2ZnCu _chemical_formula_sum 'La2 Zn1 Cu1' _cell_volume 102.36892742 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 5.56934316 5.56934316 5.56934316 1 La La2 1 1.85644772 1.85644772 1.85644772 1 Zn Zn3 1 3.71289544 3.71289544 3.71289544 1 [/CIF]
CuLa2Zn
Fm-3m
225
cubic
m-3m
6,597.730344
false
[CIF] data_SrTcPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16375602 _cell_length_b 6.16375602 _cell_length_c 6.16375602 _cell_angle_alpha 147.00428490 _cell_angle_beta 147.00428490 _cell_angle_gamma 47.35743776 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTcPd _chemical_formula_sum 'Sr1 Tc1 Pd1' _cell_volume 69.17935537 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 -0.00000000 0.00000000 0.48891195 1 Sr Sr1 1 -0.00000000 0.00000000 3.78503375 1 Tc Tc2 1 -0.00000000 0.00000000 7.01573546 1 [/CIF]
PdSrTc
I4mm
107
tetragonal
4mm
7,031.701971
false
[CIF] data_Ag7Pt5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99777390 _cell_length_b 6.43997520 _cell_length_c 7.04577241 _cell_angle_alpha 67.57188095 _cell_angle_beta 89.77544579 _cell_angle_gamma 74.65883092 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag7Pt5 _chemical_formula_sum 'Ag7 Pt5' _cell_volume 200.94864988 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 6.69343009 6.21097980 0.02065139 1 Ag Ag1 1 2.54841061 4.07505992 5.93552132 1 Ag Ag2 1 5.01550158 5.45491883 5.40502073 1 Ag Ag3 1 2.55484929 6.74400024 4.82775637 1 Ag Ag4 1 0.85568132 3.18117912 3.77407873 1 Ag Ag5 1 5.87621565 5.84954667 2.70983556 1 Ag Ag6 1 1.68422385 3.52905599 1.06972339 1 Pt Pt7 1 3.32472495 1.90901525 4.31679847 1 Pt Pt8 1 3.37841495 4.48461815 3.17854960 1 Pt Pt9 1 3.41428184 7.08792693 2.14388688 1 Pt Pt10 1 4.18038062 2.27587704 1.67575952 1 Pt Pt11 1 4.18598371 4.85543280 0.55015606 1 [/CIF]
Ag7Pt5
P1
1
triclinic
1
14,299.964389
false
[CIF] data_KTl4Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51384862 _cell_length_b 6.51384862 _cell_length_c 6.51384862 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTl4Ag _chemical_formula_sum 'K1 Tl4 Ag1' _cell_volume 195.43303942 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 6.90897980 6.90897980 6.90897980 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.75027206 5.75027206 3.46170100 1 Tl Tl3 1 5.75027206 3.46170100 5.75027206 1 Tl Tl4 1 3.46170100 5.75027206 5.75027206 1 Tl Tl5 1 3.46170100 3.46170100 3.46170100 1 [/CIF]
AgKTl4
F-43m
216
cubic
-43m
8,195.080199
false
[CIF] data_ScZnSn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09044991 _cell_length_b 6.09044991 _cell_length_c 6.09044991 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScZnSn4 _chemical_formula_sum 'Sc1 Zn1 Sn4' _cell_volume 159.74715371 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 5.38473195 5.38473195 3.22846491 1 Sn Sn2 1 5.38473195 3.22846491 5.38473195 1 Sn Sn3 1 3.22846491 5.38473195 5.38473195 1 Sn Sn4 1 3.22846491 3.22846491 3.22846491 1 Zn Zn5 1 6.45989764 6.45989764 6.45989764 1 [/CIF]
ScSn4Zn
F-43m
216
cubic
-43m
6,082.784201
false
[CIF] data_BaTaNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23499951 _cell_length_b 4.23499951 _cell_length_c 6.51754542 _cell_angle_alpha 108.31415089 _cell_angle_beta 108.31415089 _cell_angle_gamma 59.82908916 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTaNi2 _chemical_formula_sum 'Ba1 Ta1 Ni2' _cell_volume 94.18342820 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 4.94960632 0.00000000 1.53546998 1 Ni Ni1 1 4.94813169 -0.00000000 5.07721284 1 Ni Ni2 1 0.05229902 -0.00000000 4.33667304 1 Ta Ta3 1 2.49686623 -0.00000000 4.23609422 1 [/CIF]
BaNi2Ta
Cm
8
monoclinic
m
7,681.109653
false
[CIF] data_HfScMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.51596149 _cell_length_b 7.51596149 _cell_length_c 7.51596149 _cell_angle_alpha 157.90896596 _cell_angle_beta 157.90896596 _cell_angle_gamma 31.44130379 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfScMo _chemical_formula_sum 'Hf1 Sc1 Mo1' _cell_volume 60.00630770 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.30857719 1 Mo Mo1 1 0.00000000 -0.00000000 4.82471458 1 Sc Sc2 1 0.00000000 0.00000000 9.80599024 1 [/CIF]
HfMoSc
I4mm
107
tetragonal
4mm
8,838.837371
false
[CIF] data_InGeBi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59401577 _cell_length_b 5.59401577 _cell_length_c 5.59401577 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InGeBi3 _chemical_formula_sum 'In1 Ge1 Bi3' _cell_volume 175.05360505 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 0.00000000 2.79700789 0.00000000 1 Bi Bi2 1 0.00000000 0.00000000 2.79700789 1 Bi Bi3 1 2.79700789 0.00000000 0.00000000 1 In In4 1 2.79700789 2.79700789 2.79700789 1 [/CIF]
Bi3GeIn
Pm-3m
221
cubic
m-3m
7,725.300413
false
[CIF] data_LaZnAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64270852 _cell_length_b 4.64270852 _cell_length_c 4.39235214 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZnAg2 _chemical_formula_sum 'La1 Zn1 Ag2' _cell_volume 94.67601898 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.32135426 2.19617607 1 Ag Ag1 1 2.32135426 0.00000000 2.19617607 1 La La2 1 2.32135426 2.32135426 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2LaZn
P4/mmm
123
tetragonal
4/mmm
7,366.864194
false
[CIF] data_TaNbTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84903609 _cell_length_b 5.84903609 _cell_length_c 5.84903609 _cell_angle_alpha 145.40237580 _cell_angle_beta 130.65561331 _cell_angle_gamma 61.66208199 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNbTl2 _chemical_formula_sum 'Ta1 Nb1 Tl2' _cell_volume 85.31009169 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.25275717 1 Ta Ta1 1 -0.00000000 2.44154038 2.27991083 1 Tl Tl2 1 -0.00000000 0.00000000 9.95668628 1 Tl Tl3 1 1.73924059 0.00000000 2.60050225 1 [/CIF]
NbTaTl2
Imm2
44
orthorhombic
mm2
13,287.040058
false
[CIF] data_YZnCrCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55621733 _cell_length_b 4.55621733 _cell_length_c 4.55621733 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZnCrCo _chemical_formula_sum 'Y1 Zn1 Cr1 Co1' _cell_volume 66.88031297 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61086609 1.61086609 1.61086608 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 4.83259826 4.83259826 4.83259826 1 Zn Zn3 1 3.22173217 3.22173217 3.22173217 1 [/CIF]
CoCrYZn
F-43m
216
cubic
-43m
6,584.89905
false
[CIF] data_KYO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44121900 _cell_length_b 4.44121900 _cell_length_c 4.44121900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KYO3 _chemical_formula_sum 'K1 Y1 O3' _cell_volume 87.60049643 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 O O1 1 2.22060950 2.22060950 0.00000000 1 O O2 1 2.22060950 0.00000000 2.22060950 1 O O3 1 0.00000000 2.22060950 2.22060950 1 Y Y4 1 2.22060950 2.22060950 2.22060950 1 [/CIF]
KO3Y
Pm-3m
221
cubic
m-3m
3,336.268513
false
[CIF] data_TaInIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81576778 _cell_length_b 4.81576778 _cell_length_c 4.81576778 _cell_angle_alpha 128.68808601 _cell_angle_beta 128.68808601 _cell_angle_gamma 75.51297686 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaInIr2 _chemical_formula_sum 'Ta1 In1 Ir2' _cell_volume 66.21139265 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 2.08506517 0.00000000 1.90372174 1 Ir Ir2 1 -0.00000000 2.08506517 1.90372173 1 Ta Ta3 1 0.00000000 -0.00000000 3.80744347 1 [/CIF]
InIr2Ta
I4/mmm
139
tetragonal
4/mmm
17,058.974728
false
[CIF] data_NdBeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62695500 _cell_length_b 3.62695500 _cell_length_c 3.62695500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdBeO3 _chemical_formula_sum 'Nd1 Be1 O3' _cell_volume 47.71187696 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nd Nd1 1 1.81347750 1.81347750 1.81347750 1 O O2 1 0.00000000 0.00000000 1.81347750 1 O O3 1 0.00000000 1.81347750 0.00000000 1 O O4 1 1.81347750 0.00000000 0.00000000 1 [/CIF]
BeNdO3
Pm-3m
221
cubic
m-3m
7,004.282033
false
[CIF] data_ZrSbPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25156158 _cell_length_b 3.25156158 _cell_length_c 6.89648708 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSbPd _chemical_formula_sum 'Zr1 Sb1 Pd1' _cell_volume 63.14551728 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 -0.00000002 1.87728996 6.83241361 1 Sb Sb1 1 1.62578077 0.93864499 2.24522778 1 Zr Zr2 1 0.00000000 0.00000000 4.71533277 1 [/CIF]
PdSbZr
P3m1
156
trigonal
3m
8,399.374063
false
[CIF] data_Ca2CuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30988154 _cell_length_b 5.66080727 _cell_length_c 5.66080727 _cell_angle_alpha 42.64912384 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2CuPt _chemical_formula_sum 'Ca2 Cu1 Pt1' _cell_volume 93.56981045 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.18554009 1 Ca Ca1 1 2.15494077 -0.00000000 7.72928233 1 Cu Cu2 1 0.00000000 0.00000000 3.35183587 1 Pt Pt3 1 2.15494077 -0.00000000 4.63285897 1 [/CIF]
Ca2CuPt
Amm2
38
orthorhombic
mm2
6,012.281363
false
[CIF] data_RbCo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48430635 _cell_length_b 4.48430635 _cell_length_c 4.48430635 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbCo3 _chemical_formula_sum 'Rb1 Co3' _cell_volume 63.76330584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.75632515 4.75632515 4.75632515 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Co Co2 1 1.58544172 1.58544172 1.58544172 1 Rb Rb3 1 3.17088343 3.17088343 3.17088343 1 [/CIF]
Co3Rb
Fm-3m
225
cubic
m-3m
6,830.029167
false
[CIF] data_NaCaIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63645098 _cell_length_b 4.63645098 _cell_length_c 4.63645098 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCaIr _chemical_formula_sum 'Na1 Ca1 Ir1' _cell_volume 70.47612547 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.91769890 4.91769890 4.91769890 1 Ir Ir1 1 1.63923296 1.63923296 1.63923297 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CaIrNa
F-43m
216
cubic
-43m
6,014.949455
false
[CIF] data_Mg6Si5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14654304 _cell_length_b 6.86250376 _cell_length_c 15.18778860 _cell_angle_alpha 98.41766706 _cell_angle_beta 95.59038146 _cell_angle_gamma 90.79222152 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6Si5 _chemical_formula_sum 'Mg12 Si10' _cell_volume 425.31632054 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 -0.42053681 0.82004567 14.08501746 1 Mg Mg1 1 1.32857964 1.51538438 7.48950053 1 Mg Mg2 1 -0.62979306 0.24947786 9.66695432 1 Mg Mg3 1 3.35041520 2.70635892 5.25340550 1 Mg Mg4 1 1.10193366 2.65722435 2.49559333 1 Mg Mg5 1 1.59055632 0.25752636 12.10747900 1 Mg Mg6 1 -0.73387433 3.68043184 8.67138372 1 Mg Mg7 1 3.40081135 -0.61017199 6.29695936 1 Mg Mg8 1 3.15552698 4.20078584 0.76565451 1 Mg Mg9 1 1.45079054 3.50543070 13.19938983 1 Mg Mg10 1 1.08046658 6.19063662 1.58195304 1 Mg Mg11 1 3.19981097 1.15726395 0.31649524 1 Si Si12 1 1.28804241 4.07169019 6.69196181 1 Si Si13 1 1.42041665 -1.06470526 8.28443828 1 Si Si14 1 -0.54187352 -1.76253206 11.91435008 1 Si Si15 1 3.24483924 4.90692141 3.30068081 1 Si Si16 1 1.25203812 0.77180701 4.66108868 1 Si Si17 1 1.37858863 2.34960093 10.24956985 1 Si Si18 1 -0.63258535 2.29087673 11.70464377 1 Si Si19 1 3.28329271 0.65394216 3.11226053 1 Si Si20 1 1.18467627 5.09387391 4.56060783 1 Si Si21 1 1.40726599 4.87894228 10.49126501 1 [/CIF]
Mg12Si10
P1
1
triclinic
1
2,235.238757
false
[CIF] data_NbMoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10071756 _cell_length_b 5.10071756 _cell_length_c 5.10071756 _cell_angle_alpha 148.87524757 _cell_angle_beta 133.25272073 _cell_angle_gamma 57.23044858 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbMoPd _chemical_formula_sum 'Nb1 Mo1 Pd1' _cell_volume 49.59836067 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00898485 1 Nb Nb1 1 0.00000000 0.00000000 5.95362304 1 Pd Pd2 1 0.00000000 -0.00000000 2.99278059 1 [/CIF]
MoNbPd
Imm2
44
orthorhombic
mm2
9,886.104363
false
[CIF] data_In3CuMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27337879 _cell_length_b 5.27337879 _cell_length_c 5.27337879 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In3CuMo _chemical_formula_sum 'In3 Cu1 Mo1' _cell_volume 146.64487992 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 2.63668939 2.63668939 2.63668939 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 2.63668939 0.00000000 2.63668939 1 In In3 1 2.63668939 2.63668939 0.00000000 1 In In4 1 0.00000000 2.63668939 2.63668939 1 [/CIF]
CuIn3Mo
Pm-3m
221
cubic
m-3m
5,706.610885
false
[CIF] data_ZnCdBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48093584 _cell_length_b 4.48093584 _cell_length_c 7.28054044 _cell_angle_alpha 103.73648358 _cell_angle_beta 103.73648358 _cell_angle_gamma 52.55825412 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCdBr2 _chemical_formula_sum 'Zn1 Cd1 Br2' _cell_volume 111.92226692 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.43206734 0.00000000 4.95245447 1 Br Br1 1 5.67548973 0.00000000 2.06814068 1 Cd Cd2 1 3.05377853 0.00000000 3.51029758 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2CdZn
C2/m
12
monoclinic
2/m
5,008.800695
false
[CIF] data_Nb2TcSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26301909 _cell_length_b 3.94325920 _cell_length_c 5.74732363 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2TcSb _chemical_formula_sum 'Nb2 Tc1 Sb1' _cell_volume 73.95041110 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63150954 1.97162960 5.66755112 1 Nb Nb1 1 0.00000000 0.00000000 1.33459430 1 Sb Sb2 1 1.63150954 1.97162960 2.84159273 1 Tc Tc3 1 0.00000000 0.00000000 4.52457093 1 [/CIF]
Nb2SbTc
Pmm2
25
orthorhombic
mm2
9,127.389325
false
[CIF] data_Ca4Ni4Ge3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42368629 _cell_length_b 5.42368629 _cell_length_c 19.55767601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 135.26039907 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4Ni4Ge3 _chemical_formula_sum 'Ca8 Ni8 Ge6' _cell_volume 404.95669552 _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 Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Ca Ca1 1 2.06416287 0.58415154 2.93575483 1 Ca Ca2 1 2.06416287 -2.33065638 4.88941900 1 Ca Ca3 1 2.06416287 0.58415154 6.84308318 1 Ca Ca4 1 0.00000000 0.00000000 9.77883801 1 Ca Ca5 1 2.06416287 -0.58415154 12.71459283 1 Ca Ca6 1 2.06416287 2.33065638 14.66825701 1 Ca Ca7 1 2.06416287 -0.58415154 16.62192118 1 Ge Ge8 1 2.06416287 -2.19932858 1.73027112 1 Ge Ge9 1 2.06416287 4.70945725 4.88941900 1 Ge Ge10 1 2.06416287 -2.19932858 8.04856689 1 Ge Ge11 1 2.06416287 2.19932858 11.50910912 1 Ge Ge12 1 2.06416287 -4.70945725 14.66825701 1 Ge Ge13 1 2.06416287 2.19932858 17.82740489 1 Ni Ni14 1 2.06416287 2.25490584 0.65422226 1 Ni Ni15 1 2.06416287 3.46197961 2.81438283 1 Ni Ni16 1 2.06416287 3.46197961 6.96445518 1 Ni Ni17 1 2.06416287 2.25490584 9.12461575 1 Ni Ni18 1 2.06416287 -2.25490584 10.43306026 1 Ni Ni19 1 2.06416287 -3.46197961 12.59322083 1 Ni Ni20 1 2.06416287 -3.46197961 16.74329318 1 Ni Ni21 1 2.06416287 -2.25490584 18.90345375 1 [/CIF]
Ca8Ge6Ni8
Cmcm
63
orthorhombic
mmm
5,027.301736
false
[CIF] data_NaFeTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07138297 _cell_length_b 5.07138297 _cell_length_c 5.07138297 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaFeTe2 _chemical_formula_sum 'Na1 Fe1 Te2' _cell_volume 92.22830490 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.58600929 3.58600929 3.58600929 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.79300465 1.79300465 1.79300464 1 Te Te3 1 5.37901393 5.37901393 5.37901393 1 [/CIF]
FeNaTe2
Fm-3m
225
cubic
m-3m
6,014.181705
false
[CIF] data_KGa2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86812154 _cell_length_b 4.86812154 _cell_length_c 4.86812154 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGa2Pd _chemical_formula_sum 'K1 Ga2 Pd1' _cell_volume 81.57728338 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.16342262 5.16342262 5.16342263 1 Ga Ga1 1 1.72114087 1.72114088 1.72114088 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 3.44228175 3.44228175 3.44228175 1 [/CIF]
Ga2KPd
Fm-3m
225
cubic
m-3m
5,800.56522
false
[CIF] data_NaBeAgHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65391160 _cell_length_b 4.65391160 _cell_length_c 4.65391160 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBeAgHg _chemical_formula_sum 'Na1 Be1 Ag1 Hg1' _cell_volume 71.27535527 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.93621868 4.93621867 4.93621867 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 1.64540623 1.64540623 1.64540623 1 Na Na3 1 3.29081245 3.29081245 3.29081245 1 [/CIF]
AgBeHgNa
F-43m
216
cubic
-43m
7,931.87743
false
[CIF] data_LiCoMoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19363396 _cell_length_b 4.19363396 _cell_length_c 4.19363396 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCoMoPt _chemical_formula_sum 'Li1 Co1 Mo1 Pt1' _cell_volume 52.15027025 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.96534701 2.96534701 2.96534701 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 4.44802051 4.44802052 4.44802052 1 Pt Pt3 1 1.48267350 1.48267350 1.48267350 1 [/CIF]
CoLiMoPt
F-43m
216
cubic
-43m
11,364.784948
false
[CIF] data_Na2CdSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59498767 _cell_length_b 4.59498767 _cell_length_c 4.85006846 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CdSb _chemical_formula_sum 'Na2 Cd1 Sb1' _cell_volume 102.40391714 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 0.00000000 2.29749384 2.42503423 1 Na Na2 1 2.29749384 0.00000000 2.42503423 1 Sb Sb3 1 2.29749384 2.29749384 0.00000000 1 [/CIF]
CdNa2Sb
P4/mmm
123
tetragonal
4/mmm
4,542.808977
false
[CIF] data_AlHgPdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93317464 _cell_length_b 4.93317464 _cell_length_c 4.93317464 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlHgPdPb _chemical_formula_sum 'Al1 Hg1 Pd1 Pb1' _cell_volume 84.89155184 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 1.74414062 1.74414062 1.74414062 1 Pb Pb2 1 5.23242186 5.23242186 5.23242186 1 Pd Pd3 1 3.48828124 3.48828124 3.48828124 1 [/CIF]
AlHgPbPd
F-43m
216
cubic
-43m
10,586.090994
false
[CIF] data_NbCrAgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48637651 _cell_length_b 4.48637651 _cell_length_c 4.48637651 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCrAgW _chemical_formula_sum 'Nb1 Cr1 Ag1 W1' _cell_volume 63.85165450 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58617363 1.58617363 1.58617363 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 3.17234725 3.17234725 3.17234725 1 W W3 1 4.75852088 4.75852088 4.75852088 1 [/CIF]
AgCrNbW
F-43m
216
cubic
-43m
11,354.585824
false
[CIF] data_BaTaTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67346191 _cell_length_b 4.67346191 _cell_length_c 4.67346191 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTaTc _chemical_formula_sum 'Ba1 Ta1 Tc1' _cell_volume 72.17738196 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 4.95695492 4.95695492 4.95695492 1 Ta Ta1 1 3.30463661 3.30463661 3.30463661 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaTaTc
F-43m
216
cubic
-43m
9,597.819461
false
[CIF] data_TaNb2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45762155 _cell_length_b 5.45762155 _cell_length_c 5.45762155 _cell_angle_alpha 142.44201112 _cell_angle_beta 129.61483399 _cell_angle_gamma 64.50957441 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNb2Te _chemical_formula_sum 'Ta1 Nb2 Te1' _cell_volume 75.35101341 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.32310296 0.06824774 1 Nb Nb1 1 0.00000000 -0.00000000 6.92335971 1 Ta Ta2 1 0.00000000 2.32310296 4.54250105 1 Te Te3 1 -0.00000000 -0.00000000 2.31214863 1 [/CIF]
Nb2TaTe
Imm2
44
orthorhombic
mm2
10,895.001744
false
[CIF] data_Li2TaV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.56354140 _cell_length_b 2.56354140 _cell_length_c 9.86971328 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TaV _chemical_formula_sum 'Li2 Ta1 V1' _cell_volume 64.86123406 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.28177070 1.28177070 2.42028218 1 Li Li1 1 1.28177070 1.28177070 7.44943110 1 Ta Ta2 1 0.00000000 0.00000000 4.93485664 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Li2TaV
P4/mmm
123
tetragonal
4/mmm
6,292.093943
false
[CIF] data_Ag4AsOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38079316 _cell_length_b 5.38079316 _cell_length_c 5.38079316 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag4AsOs _chemical_formula_sum 'Ag4 As1 Os1' _cell_volume 110.15999190 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.85516250 2.85516250 4.75442816 1 Ag Ag1 1 2.85516250 4.75442816 2.85516250 1 Ag Ag2 1 4.75442816 2.85516250 2.85516250 1 Ag Ag3 1 4.75442816 4.75442816 4.75442816 1 As As4 1 0.00000000 0.00000000 0.00000000 1 Os Os5 1 1.90239766 1.90239766 1.90239766 1 [/CIF]
Ag4AsOs
F-43m
216
cubic
-43m
10,500.836202
false
[CIF] data_Zn2SnB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99064511 _cell_length_b 2.99064511 _cell_length_c 7.94832069 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2SnB _chemical_formula_sum 'Zn2 Sn1 B1' _cell_volume 71.08944780 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.40291994 1 Sn Sn1 1 1.49532256 1.49532256 6.07740077 1 Zn Zn2 1 0.00000000 0.00000000 0.30928180 1 Zn Zn3 1 1.49532256 1.49532256 3.13287853 1 [/CIF]
BSnZn2
P4mm
99
tetragonal
4mm
6,079.759826
false
[CIF] data_TlZnAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19706752 _cell_length_b 5.19706752 _cell_length_c 3.15613941 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.04704253 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZnAg2 _chemical_formula_sum 'Tl1 Zn1 Ag2' _cell_volume 80.08086655 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.48958377 2.12920593 1.57806970 1 Ag Ag1 1 1.48958377 -2.12920593 1.57806970 1 Tl Tl2 1 2.97916754 -0.00000000 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2TlZn
Cmmm
65
orthorhombic
mmm
10,067.213972
false
[CIF] data_GaCuPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30253405 _cell_length_b 4.30253405 _cell_length_c 4.30253405 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCuPd2 _chemical_formula_sum 'Ga1 Cu1 Pd2' _cell_volume 56.31939085 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 3.04235100 3.04235100 3.04235100 1 Pd Pd2 1 4.56352650 4.56352650 4.56352650 1 Pd Pd3 1 1.52117550 1.52117550 1.52117550 1 [/CIF]
CuGaPd2
Fm-3m
225
cubic
m-3m
10,204.789276
false
[CIF] data_B2IrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04773438 _cell_length_b 3.74070524 _cell_length_c 3.74070524 _cell_angle_alpha 61.98692264 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B2IrPt _chemical_formula_sum 'B2 Ir1 Pt1' _cell_volume 50.00359035 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.12227663 1 B B1 1 2.02386719 -0.00000000 1.50080564 1 Ir Ir2 1 0.00000000 -0.00000000 2.26479388 1 Pt Pt3 1 2.02386719 -0.00000000 5.73850550 1 [/CIF]
B2IrPt
Amm2
38
orthorhombic
mm2
13,585.837247
false
[CIF] data_CrSbTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.18214019 _cell_length_b 7.14007733 _cell_length_c 3.32492047 _cell_angle_alpha 77.28233308 _cell_angle_beta 75.87222356 _cell_angle_gamma 26.84544335 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrSbTe _chemical_formula_sum 'Cr1 Sb1 Te1' _cell_volume 74.66774478 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28611709 2.41428349 13.43122373 1 Sb Sb1 1 2.28611709 2.41428349 8.46326644 1 Te Te2 1 2.28611709 2.41428349 5.16230135 1 [/CIF]
CrSbTe
Fmm2
42
orthorhombic
mm2
6,701.87078
false
[CIF] data_ThIr2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76274742 _cell_length_b 4.76274742 _cell_length_c 4.76274742 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThIr2W _chemical_formula_sum 'Th1 Ir2 W1' _cell_volume 76.39371926 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68388550 1.68388550 1.68388550 1 Ir Ir1 1 5.05165650 5.05165650 5.05165650 1 Th Th2 1 3.36777100 3.36777100 3.36777100 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir2ThW
Fm-3m
225
cubic
m-3m
17,396.056299
false
[CIF] data_Mo3Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99695859 _cell_length_b 4.99695859 _cell_length_c 4.99695859 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo3Os _chemical_formula_sum 'Mo6 Os2' _cell_volume 124.77203297 _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 Mo Mo0 1 2.49847930 3.74771894 0.00000000 1 Mo Mo1 1 2.49847930 1.24923965 0.00000000 1 Mo Mo2 1 3.74771894 0.00000000 2.49847930 1 Mo Mo3 1 0.00000000 2.49847930 3.74771894 1 Mo Mo4 1 0.00000000 2.49847930 1.24923965 1 Mo Mo5 1 1.24923965 0.00000000 2.49847930 1 Os Os6 1 2.49847930 2.49847930 2.49847930 1 Os Os7 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo6Os2
Pm-3n
223
cubic
m-3m
12,725.934077
false
[CIF] data_TaZnBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.12727903 _cell_length_b 7.12727903 _cell_length_c 7.12727903 _cell_angle_alpha 155.05361233 _cell_angle_beta 155.05361233 _cell_angle_gamma 35.56997738 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZnBr _chemical_formula_sum 'Ta1 Zn1 Br1' _cell_volume 64.32831796 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.50161254 1 Ta Ta1 1 0.00000000 0.00000000 9.07874517 1 Zn Zn2 1 0.00000000 -0.00000000 3.99296719 1 [/CIF]
BrTaZn
I4mm
107
tetragonal
4mm
8,421.187144
false
[CIF] data_CrN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11219879 _cell_length_b 3.11219879 _cell_length_c 3.11219879 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrN _chemical_formula_sum 'Cr1 N1' _cell_volume 21.31508123 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.30098531 3.30098531 3.30098531 1 N N1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrN
F-43m
216
cubic
-43m
5,141.909933
false
[CIF] data_AlHgPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89594402 _cell_length_b 3.91360972 _cell_length_c 6.11106052 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlHgPt2 _chemical_formula_sum 'Al1 Hg1 Pt2' _cell_volume 69.26028291 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 2.59561007 1 Hg Hg1 1 1.44797201 1.95680486 4.70528792 1 Pt Pt2 1 0.00000000 0.00000000 0.05986352 1 Pt Pt3 1 1.44797201 1.95680486 1.80582926 1 [/CIF]
AlHgPt2
Pmm2
25
orthorhombic
mm2
14,810.517569
false
[CIF] data_BaInCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66225734 _cell_length_b 6.66225734 _cell_length_c 6.66225734 _cell_angle_alpha 147.53694723 _cell_angle_beta 147.53694723 _cell_angle_gamma 46.56939668 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaInCu _chemical_formula_sum 'Ba1 In1 Cu1' _cell_volume 84.88911860 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.17059667 1 Cu Cu1 1 0.00000000 0.00000000 3.62503548 1 In In2 1 -0.00000000 -0.00000000 8.68288666 1 [/CIF]
BaCuIn
I4mm
107
tetragonal
4mm
6,175.323292
false
[CIF] data_TlZnFeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48724601 _cell_length_b 4.48724601 _cell_length_c 4.48724601 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZnFeIr _chemical_formula_sum 'Tl1 Zn1 Fe1 Ir1' _cell_volume 63.88878681 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 1.58648104 1.58648104 1.58648104 1 Tl Tl2 1 4.75944312 4.75944312 4.75944312 1 Zn Zn3 1 3.17296208 3.17296208 3.17296208 1 [/CIF]
FeIrTlZn
F-43m
216
cubic
-43m
13,458.842832
false
[CIF] data_LiCuO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51431705 _cell_length_b 3.51431705 _cell_length_c 3.51431705 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCuO _chemical_formula_sum 'Li1 Cu1 O1' _cell_volume 30.69077266 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 2.48499742 2.48499742 2.48499742 1 O O2 1 3.72749613 3.72749613 3.72749613 1 [/CIF]
CuLiO
F-43m
216
cubic
-43m
4,679.388412
false
[CIF] data_Cd2PSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.37820946 _cell_length_b 10.37820946 _cell_length_c 10.37820946 _cell_angle_alpha 16.95861974 _cell_angle_beta 16.95861974 _cell_angle_gamma 16.95861974 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2PSe _chemical_formula_sum 'Cd2 P1 Se1' _cell_volume 82.96075930 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.80827338 1 Cd Cd1 1 0.00000000 0.00000000 22.87174650 1 P P2 1 -0.00000000 -0.00000000 0.00000000 1 Se Se3 1 -0.00000000 -0.00000000 15.34000994 1 [/CIF]
Cd2PSe
R-3m
166
trigonal
-3m
6,700.457243
false
[CIF] data_BeReBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61476093 _cell_length_b 6.61476093 _cell_length_c 6.61476093 _cell_angle_alpha 153.77386673 _cell_angle_beta 137.83917302 _cell_angle_gamma 50.33329711 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeReBr2 _chemical_formula_sum 'Be1 Re1 Br2' _cell_volume 85.50356431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.78534907 1 Br Br1 1 1.50071345 0.00000000 0.32927057 1 Br Br2 1 0.00000000 0.00000000 3.86657515 1 Re Re3 1 1.50071345 0.00000000 5.97936444 1 [/CIF]
BeBr2Re
Imm2
44
orthorhombic
mm2
6,894.876374
false
[CIF] data_Sr2NbAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63482354 _cell_length_b 4.63482354 _cell_length_c 5.14138031 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2NbAl _chemical_formula_sum 'Sr2 Nb1 Al1' _cell_volume 110.44501998 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 2.31741177 2.31741177 0.00000000 1 Sr Sr2 1 2.31741177 0.00000000 2.57069015 1 Sr Sr3 1 0.00000000 2.31741177 2.57069015 1 [/CIF]
AlNbSr2
P4/mmm
123
tetragonal
4/mmm
4,437.243516
false
[CIF] data_Fe2BiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24488438 _cell_length_b 4.24488438 _cell_length_c 4.24488438 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2BiB _chemical_formula_sum 'Fe2 Bi1 B1' _cell_volume 54.08571794 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.00158653 3.00158653 3.00158653 1 Fe Fe2 1 4.50237979 4.50237979 4.50237979 1 Fe Fe3 1 1.50079326 1.50079326 1.50079327 1 [/CIF]
BBiFe2
Fm-3m
225
cubic
m-3m
10,177.137987
false
[CIF] data_ZrHgW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82371327 _cell_length_b 2.82371327 _cell_length_c 9.37776422 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrHgW2 _chemical_formula_sum 'Zr1 Hg1 W2' _cell_volume 74.77225853 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.68888211 1 W W1 1 1.41185663 1.41185663 6.96449985 1 W W2 1 1.41185663 1.41185663 2.41326437 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgW2Zr
P4/mmm
123
tetragonal
4/mmm
14,646.01408
false
[CIF] data_TiReBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88113968 _cell_length_b 4.88113968 _cell_length_c 3.43141802 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiReBi2 _chemical_formula_sum 'Ti1 Re1 Bi2' _cell_volume 81.75533436 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 2.44056984 1.71570901 1 Bi Bi1 1 2.44056984 0.00000000 1.71570901 1 Re Re2 1 2.44056984 2.44056984 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2ReTi
P4/mmm
123
tetragonal
4/mmm
13,243.530426
false
[CIF] data_NaMgRhPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86153083 _cell_length_b 4.86153083 _cell_length_c 4.86153083 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMgRhPb _chemical_formula_sum 'Na1 Mg1 Rh1 Pb1' _cell_volume 81.24640176 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.43762142 3.43762142 3.43762142 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 5.15643213 5.15643213 5.15643213 1 Rh Rh3 1 1.71881071 1.71881071 1.71881071 1 [/CIF]
MgNaPbRh
F-43m
216
cubic
-43m
7,304.65715
false
[CIF] data_MoRh2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40484834 _cell_length_b 4.40484834 _cell_length_c 4.40484834 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoRh2Se _chemical_formula_sum 'Mo1 Rh2 Se1' _cell_volume 60.43351878 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55734906 1.55734907 1.55734907 1 Rh Rh1 1 4.67204720 4.67204720 4.67204720 1 Rh Rh2 1 3.11469813 3.11469813 3.11469813 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoRh2Se
F-43m
216
cubic
-43m
10,461.391495
false
[CIF] data_SrIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31344012 _cell_length_b 6.31344012 _cell_length_c 6.80712597 _cell_angle_alpha 102.86325660 _cell_angle_beta 102.86325660 _cell_angle_gamma 26.79610933 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrIr2 _chemical_formula_sum 'Sr2 Ir4' _cell_volume 119.07336774 _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 8.16917350 -0.00000000 5.65942771 1 Ir Ir1 1 1.25197732 -0.00000000 3.48979772 1 Ir Ir2 1 2.55621578 -0.00000000 0.96704310 1 Ir Ir3 1 9.47341196 -0.00000000 3.13667309 1 Sr Sr4 1 5.59313457 -0.00000000 1.49563886 1 Sr Sr5 1 5.13225471 -0.00000000 5.13083195 1 [/CIF]
Ir4Sr2
C2/m
12
monoclinic
2/m
13,166.069347
false
[CIF] data_MgInRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00873023 _cell_length_b 5.00873023 _cell_length_c 4.93048864 _cell_angle_alpha 99.30169886 _cell_angle_beta 99.30169886 _cell_angle_gamma 33.64524760 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgInRe2 _chemical_formula_sum 'Mg1 In1 Re2' _cell_volume 67.54791152 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.37810350 -0.00000000 2.42984379 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 7.00280575 -0.00000000 1.13145112 1 Re Re3 1 1.75340125 0.00000000 3.72823646 1 [/CIF]
InMgRe2
C2/m
12
monoclinic
2/m
12,575.180393
false
[CIF] data_Ga2AsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18636177 _cell_length_b 5.18636177 _cell_length_c 4.37855768 _cell_angle_alpha 92.88891581 _cell_angle_beta 92.88891581 _cell_angle_gamma 34.22977712 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2AsW _chemical_formula_sum 'Ga2 As1 W1' _cell_volume 66.15834608 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 2.19661294 -0.00000000 3.24659298 1 Ga Ga2 1 7.48586754 -0.00000000 1.12587212 1 W W3 1 4.84124024 -0.00000000 2.18623255 1 [/CIF]
AsGa2W
C2/m
12
monoclinic
2/m
9,994.797566
false
[CIF] data_SrRePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07105847 _cell_length_b 5.07105847 _cell_length_c 2.88096417 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.08049813 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrRePd2 _chemical_formula_sum 'Sr1 Re1 Pd2' _cell_volume 73.89801722 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 1.72792370 1.85558298 1.44048208 1 Pd Pd1 1 1.72792370 -1.85558298 1.44048208 1 Re Re2 1 3.45584740 -0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pd2ReSr
Cmmm
65
orthorhombic
mmm
10,935.740854
false
[CIF] data_Zr3NiSb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.87357720 _cell_length_b 8.87357720 _cell_length_c 5.86213347 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3NiSb5 _chemical_formula_sum 'Zr6 Ni2 Sb10' _cell_volume 399.74569753 _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 Ni Ni0 1 0.00000000 0.00000000 2.93106673 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 3.28542962 5.69053103 4.39660010 1 Sb Sb3 1 2.30271795 0.00000000 4.39660010 1 Sb Sb4 1 -1.15135898 1.99421224 4.39660010 1 Sb Sb5 1 1.15135898 1.99421224 1.46553337 1 Sb Sb6 1 6.57085925 0.00000000 1.46553337 1 Sb Sb7 1 -3.28542962 5.69053103 1.46553337 1 Sb Sb8 1 -0.00000000 5.12316219 2.93106673 1 Sb Sb9 1 4.43678860 2.56158109 0.00000000 1 Sb Sb10 1 4.43678860 2.56158109 2.93106673 1 Sb Sb11 1 -0.00000000 5.12316219 0.00000000 1 Zr Zr12 1 1.69966787 2.94391111 4.39660010 1 Zr Zr13 1 5.47424146 0.00000000 4.39660010 1 Zr Zr14 1 -2.73712073 4.74083217 4.39660010 1 Zr Zr15 1 2.73712073 4.74083217 1.46553337 1 Zr Zr16 1 3.39933574 0.00000000 1.46553337 1 Zr Zr17 1 -1.69966787 2.94391111 1.46553337 1 [/CIF]
Ni2Sb10Zr6
P6_3/mcm
193
hexagonal
6/mmm
7,819.180666
false
[CIF] data_Ca3ScW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61197206 _cell_length_b 5.61197206 _cell_length_c 5.61197206 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3ScW _chemical_formula_sum 'Ca3 Sc1 W1' _cell_volume 176.74474107 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 0.00000000 1 Ca Ca1 1 2.80598603 0.00000000 2.80598603 1 Ca Ca2 1 2.80598603 2.80598603 0.00000000 1 Ca Ca3 1 0.00000000 2.80598603 2.80598603 1 W W4 1 2.80598603 2.80598603 2.80598603 1 [/CIF]
Ca3ScW
Pm-3m
221
cubic
m-3m
3,279.179911
false
[CIF] data_LaTiBiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07077349 _cell_length_b 5.07077349 _cell_length_c 5.07077349 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTiBiRh _chemical_formula_sum 'La1 Ti1 Bi1 Rh1' _cell_volume 92.19505664 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.58557832 3.58557832 3.58557832 1 La La1 1 1.79278916 1.79278916 1.79278916 1 Rh Rh2 1 5.37836748 5.37836748 5.37836748 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiLaRhTi
F-43m
216
cubic
-43m
8,981.411092
false
[CIF] data_YCdCoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72849746 _cell_length_b 4.72849746 _cell_length_c 4.72849746 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCdCoW _chemical_formula_sum 'Y1 Cd1 Co1 W1' _cell_volume 74.75745066 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67177631 1.67177631 1.67177631 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 3.34355262 3.34355262 3.34355262 1 Y Y3 1 5.01532893 5.01532893 5.01532893 1 [/CIF]
CdCoWY
F-43m
216
cubic
-43m
9,864.285931
false
[CIF] data_MnBiAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97691509 _cell_length_b 4.97691509 _cell_length_c 4.97691509 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBiAs2 _chemical_formula_sum 'Mn1 Bi1 As2' _cell_volume 87.16972915 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.27881562 5.27881562 5.27881562 1 As As1 1 1.75960520 1.75960520 1.75960520 1 Bi Bi2 1 3.51921041 3.51921041 3.51921041 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2BiMn
Fm-3m
225
cubic
m-3m
7,881.949187
false
[CIF] data_YHfCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49205249 _cell_length_b 3.49205249 _cell_length_c 9.13655950 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 126.25420571 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHfCl2 _chemical_formula_sum 'Y1 Hf1 Cl2' _cell_volume 89.84530268 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57845245 0.00000000 2.40750060 1 Cl Cl1 1 1.57845245 0.00000000 6.72905890 1 Hf Hf2 1 0.00000000 0.00000000 4.56827975 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2HfY
Cmmm
65
orthorhombic
mmm
6,252.563256
false
[CIF] data_BaSiOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61174269 _cell_length_b 4.61174269 _cell_length_c 3.48311534 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSiOs2 _chemical_formula_sum 'Ba1 Si1 Os2' _cell_volume 74.07949153 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30587135 2.30587135 0.00000000 1 Os Os1 1 2.30587135 0.00000000 1.74155767 1 Os Os2 1 0.00000000 2.30587135 1.74155767 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaOs2Si
P4/mmm
123
tetragonal
4/mmm
12,236.081367
false
[CIF] data_TaInGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25096276 _cell_length_b 5.25096276 _cell_length_c 5.25096276 _cell_angle_alpha 134.85110415 _cell_angle_beta 134.85110415 _cell_angle_gamma 65.76163822 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaInGa2 _chemical_formula_sum 'Ta1 In1 Ga2' _cell_volume 71.67250197 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01575829 2.20488361 1 Ga Ga1 1 2.01575829 -0.00000000 2.20488361 1 In In2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 0.00000000 0.00000000 4.40976722 1 [/CIF]
Ga2InTa
I4/mmm
139
tetragonal
4/mmm
10,083.174288
false
[CIF] data_Zr7Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.59708248 _cell_length_b 9.59708248 _cell_length_c 9.59708248 _cell_angle_alpha 36.08428863 _cell_angle_beta 36.08428863 _cell_angle_gamma 36.08428863 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr7Si6 _chemical_formula_sum 'Zr7 Si6' _cell_volume 274.29650690 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 -0.00000000 15.36532931 1 Si Si1 1 -0.00000000 0.00000000 11.52176441 1 Si Si2 1 0.00000000 -0.00000000 17.80166916 1 Si Si3 1 0.00000000 0.00000000 9.08542456 1 Si Si4 1 -0.00000000 0.00000000 22.40654937 1 Si Si5 1 -0.00000000 0.00000000 4.48054434 1 Zr Zr6 1 -1.47791928 0.85327710 6.59894368 1 Zr Zr7 1 0.00000000 -1.70655419 6.59894368 1 Zr Zr8 1 1.47791928 0.85327710 6.59894368 1 Zr Zr9 1 1.47791928 -0.85327710 20.28815003 1 Zr Zr10 1 -1.47791928 -0.85327710 20.28815003 1 Zr Zr11 1 0.00000000 1.70655419 20.28815003 1 Zr Zr12 1 -0.00000000 0.00000000 0.00000000 1 [/CIF]
Si6Zr7
R-3m
166
trigonal
-3m
4,885.915412
false