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_ScRu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.57084246 _cell_length_b 7.57084246 _cell_length_c 7.57084246 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScRu4 _chemical_formula_sum 'Sc4 Ru16' _cell_volume 334.04943073 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 0.91191676 0.91191676 0.91191676 1 Ru Ru1 1 3.45911117 3.45911117 -3.45911117 1 Ru Ru2 1 3.45911117 -3.45911117 3.45911117 1 Ru Ru3 1 -3.45911117 3.45911117 3.45911117 1 Ru Ru4 1 3.07360360 0.00000000 -0.00000000 1 Ru Ru5 1 5.66845226 0.00000000 -0.00000000 1 Ru Ru6 1 0.00000000 3.07360360 -0.00000000 1 Ru Ru7 1 0.00000000 5.66845226 -0.00000000 1 Ru Ru8 1 0.00000000 -0.00000000 3.07360360 1 Ru Ru9 1 0.00000000 -0.00000000 5.66845226 1 Ru Ru10 1 2.18551397 4.37102793 -0.00000000 1 Ru Ru11 1 2.18551397 -0.00000000 4.37102793 1 Ru Ru12 1 -0.00000000 2.18551397 4.37102793 1 Ru Ru13 1 4.37102793 2.18551397 -0.00000000 1 Ru Ru14 1 4.37102793 -0.00000000 2.18551397 1 Ru Ru15 1 -0.00000000 4.37102793 2.18551397 1 Sc Sc16 1 2.43676716 2.43676716 2.43676716 1 Sc Sc17 1 1.93426077 1.93426077 -1.93426077 1 Sc Sc18 1 1.93426077 -1.93426077 1.93426077 1 Sc Sc19 1 -1.93426077 1.93426077 1.93426077 1 [/CIF]
Ru16Sc4
I-43m
217
cubic
-43m
8,932.495773
false
[CIF] data_BeSb2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14660848 _cell_length_b 3.14660848 _cell_length_c 7.92872043 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSb2Rh _chemical_formula_sum 'Be1 Sb2 Rh1' _cell_volume 78.50341006 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.50659494 1 Rh Rh1 1 1.57330424 1.57330424 5.42192242 1 Sb Sb2 1 0.00000000 0.00000000 7.24284187 1 Sb Sb3 1 1.57330424 1.57330424 2.65044184 1 [/CIF]
BeRhSb2
P4mm
99
tetragonal
4mm
7,518.376033
false
[CIF] data_MnInTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40051949 _cell_length_b 4.40051949 _cell_length_c 4.40051949 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnInTc2 _chemical_formula_sum 'Mn1 In1 Tc2' _cell_volume 60.25552126 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55581858 1.55581858 1.55581859 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 4.66745575 4.66745575 4.66745576 1 Tc Tc3 1 3.11163717 3.11163717 3.11163717 1 [/CIF]
InMnTc2
F-43m
216
cubic
-43m
10,129.557422
false
[CIF] data_InFe3B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92467416 _cell_length_b 3.92467416 _cell_length_c 3.92467416 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InFe3B _chemical_formula_sum 'In1 Fe3 B1' _cell_volume 60.45202007 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 0.00000000 1.96233708 0.00000000 1 Fe Fe2 1 0.00000000 0.00000000 1.96233708 1 Fe Fe3 1 1.96233708 0.00000000 0.00000000 1 In In4 1 1.96233708 1.96233708 1.96233708 1 [/CIF]
BFe3In
Pm-3m
221
cubic
m-3m
8,052.837182
false
[CIF] data_LaReNiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59920898 _cell_length_b 4.59920898 _cell_length_c 4.59920898 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaReNiRh _chemical_formula_sum 'La1 Re1 Ni1 Rh1' _cell_volume 68.79144527 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.25213186 3.25213186 3.25213186 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 4.87819779 4.87819779 4.87819779 1 Rh Rh3 1 1.62606593 1.62606593 1.62606593 1 [/CIF]
LaNiReRh
F-43m
216
cubic
-43m
11,748.601019
false
[CIF] data_BaHgF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78650701 _cell_length_b 4.78650701 _cell_length_c 4.78650701 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHgF3 _chemical_formula_sum 'Ba1 Hg1 F3' _cell_volume 109.66198375 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 F F1 1 0.00000000 2.39325351 2.39325351 1 F F2 1 2.39325351 0.00000000 2.39325351 1 F F3 1 2.39325351 2.39325351 0.00000000 1 Hg Hg4 1 2.39325351 2.39325351 2.39325351 1 [/CIF]
BaF3Hg
Pm-3m
221
cubic
m-3m
5,979.895033
false
[CIF] data_TaRu2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27816949 _cell_length_b 5.27816949 _cell_length_c 5.27816949 _cell_angle_alpha 136.87108193 _cell_angle_beta 136.87108193 _cell_angle_gamma 62.63646538 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaRu2Pb _chemical_formula_sum 'Ta1 Ru2 Pb1' _cell_volume 67.88042805 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 0.00000000 1.93997924 2.25455285 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 1.93997924 0.00000000 2.25455285 1 Ta Ta3 1 -0.00000000 0.00000000 4.50910570 1 [/CIF]
PbRu2Ta
I-4m2
119
tetragonal
-42m
14,440.039839
false
[CIF] data_K2AlW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35340241 _cell_length_b 5.35340241 _cell_length_c 5.35340241 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2AlW _chemical_formula_sum 'K2 Al1 W1' _cell_volume 108.48624408 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 3.78542715 3.78542715 3.78542715 1 K K2 1 1.89271358 1.89271358 1.89271358 1 W W3 1 5.67814073 5.67814073 5.67814073 1 [/CIF]
AlK2W
F-43m
216
cubic
-43m
4,423.841144
false
[CIF] data_MnOs2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37128613 _cell_length_b 5.37128613 _cell_length_c 2.70604067 _cell_angle_alpha 103.56525412 _cell_angle_beta 103.56525412 _cell_angle_gamma 120.95369663 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnOs2Pt _chemical_formula_sum 'Mn1 Os2 Pt1' _cell_volume 58.88172674 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 0.67940358 2.33693017 1.18991976 1 Os Os2 1 0.67940358 -2.33693017 1.18991976 1 Pt Pt3 1 2.64683663 0.00000000 0.00000000 1 [/CIF]
MnOs2Pt
C2/m
12
monoclinic
2/m
17,780.390021
false
[CIF] data_AlAgBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40418232 _cell_length_b 6.40418232 _cell_length_c 6.40418232 _cell_angle_alpha 150.69917982 _cell_angle_beta 128.43078998 _cell_angle_gamma 60.42047579 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlAgBi2 _chemical_formula_sum 'Al1 Ag1 Bi2' _cell_volume 99.88965359 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.78574998 0.36522918 1 Al Al1 1 0.00000000 0.00000000 8.03373458 1 Bi Bi2 1 0.00000000 2.78574998 5.12468093 1 Bi Bi3 1 -0.00000000 -0.00000000 3.07954841 1 [/CIF]
AgAlBi2
Imm2
44
orthorhombic
mm2
9,189.775545
false
[CIF] data_InCu2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18551020 _cell_length_b 5.43436620 _cell_length_c 5.43436620 _cell_angle_alpha 29.69861192 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCu2Mo _chemical_formula_sum 'In1 Cu2 Mo1' _cell_volume 61.24000106 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.09275510 -0.00000000 1.94870335 1 Cu Cu1 1 0.00000000 -0.00000000 3.29727358 1 In In2 1 2.09275510 -0.00000000 9.75033867 1 Mo Mo3 1 0.00000000 -0.00000000 6.13726966 1 [/CIF]
Cu2InMo
Amm2
38
orthorhombic
mm2
9,161.435967
false
[CIF] data_KHfMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26401338 _cell_length_b 3.26401338 _cell_length_c 7.94851040 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfMn _chemical_formula_sum 'K1 Hf1 Mn1' _cell_volume 73.33650991 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63200670 0.94223949 7.30977581 1 K K1 1 0.00000000 0.00000000 2.91464508 1 Mn Mn2 1 0.00000002 1.88447899 5.67259990 1 [/CIF]
HfKMn
P3m1
156
trigonal
3m
6,170.741459
false
[CIF] data_Cr2HgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68842917 _cell_length_b 4.68842917 _cell_length_c 2.77059368 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.96596291 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2HgRu _chemical_formula_sum 'Cr2 Hg1 Ru1' _cell_volume 57.24099728 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.34515657 1.91986870 1.38529684 1 Cr Cr1 1 1.34515657 -1.91986870 1.38529684 1 Hg Hg2 1 2.69031313 0.00000000 0.00000000 1 Ru Ru3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
Cr2HgRu
Cmmm
65
orthorhombic
mmm
11,767.819671
false
[CIF] data_Sb2PCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52301840 _cell_length_b 3.52301840 _cell_length_c 7.51505898 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb2PCl _chemical_formula_sum 'Sb2 P1 Cl1' _cell_volume 93.27434677 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 3.75752949 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 1.76150920 1.76150920 1.51712222 1 Sb Sb3 1 1.76150920 1.76150920 5.99793676 1 [/CIF]
ClPSb2
P4/mmm
123
tetragonal
4/mmm
5,517.902024
false
[CIF] data_Ti2NbFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18765045 _cell_length_b 5.18765045 _cell_length_c 5.18765045 _cell_angle_alpha 146.04800912 _cell_angle_beta 128.13364537 _cell_angle_gamma 63.44839279 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2NbFe _chemical_formula_sum 'Ti2 Nb1 Fe1' _cell_volume 60.65039282 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 -0.00000000 -0.00000000 4.41255905 1 Ti Ti2 1 1.51464363 -0.00000000 2.02326123 1 Ti Ti3 1 0.00000000 2.26867682 2.38929782 1 [/CIF]
FeNbTi2
Immm
71
orthorhombic
mmm
6,693.732816
false
[CIF] data_Cu2GeB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22008979 _cell_length_b 3.52246474 _cell_length_c 4.71494958 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.38942068 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2GeB _chemical_formula_sum 'Cu2 Ge1 B1' _cell_volume 51.03575911 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 2.49415725 1.76123237 0.97042898 1 Cu Cu2 1 -0.68319894 1.76123237 3.52902633 1 Ge Ge3 1 0.90547915 0.00000000 2.24972765 1 [/CIF]
BCu2Ge
P2/m
10
monoclinic
2/m
6,850.390448
false
[CIF] data_AlTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07497400 _cell_length_b 5.07497400 _cell_length_c 8.28457995 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTe2 _chemical_formula_sum 'Al2 Te4' _cell_volume 184.78587407 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 6.21343496 1 Al Al1 1 0.00000000 0.00000000 2.07114499 1 Te Te2 1 0.00000000 2.93003761 7.92852826 1 Te Te3 1 2.53748700 1.46501880 3.78623828 1 Te Te4 1 2.53748700 1.46501880 0.35605169 1 Te Te5 1 -0.00000000 2.93003761 4.49834167 1 [/CIF]
Al2Te4
P6_3/mmc
194
hexagonal
6/mmm
5,071.529098
false
[CIF] data_ScBe2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82964769 _cell_length_b 2.82964769 _cell_length_c 6.20150203 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.86787541 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBe2Cu _chemical_formula_sum 'Sc1 Be2 Cu1' _cell_volume 49.62845984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96798406 0.00000000 1.91802256 1 Be Be1 1 1.96798406 0.00000000 4.28347947 1 Cu Cu2 1 0.00000000 0.00000000 3.10075101 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2CuSc
Cmmm
65
orthorhombic
mmm
4,233.494751
false
[CIF] data_Bi2TeS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.98092141 _cell_length_b 9.98092141 _cell_length_c 9.98092141 _cell_angle_alpha 24.15890067 _cell_angle_beta 24.15890067 _cell_angle_gamma 24.15890067 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2TeS2 _chemical_formula_sum 'Bi2 Te1 S2' _cell_volume 146.36692755 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 -0.00000000 -0.00000000 17.63513424 1 Bi Bi1 1 0.00000000 -0.00000000 11.57799391 1 S S2 1 -0.00000000 0.00000000 0.11966565 1 S S3 1 -0.00000000 -0.00000000 22.67072326 1 Te Te4 1 -0.00000000 0.00000000 6.10733591 1 [/CIF]
Bi2S2Te
R3m
160
trigonal
3m
6,916.968263
false
[CIF] data_BaNa2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.99616901 _cell_length_b 7.99616901 _cell_length_c 7.99616901 _cell_angle_alpha 145.45461051 _cell_angle_beta 145.45461051 _cell_angle_gamma 49.65756552 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNa2Br _chemical_formula_sum 'Ba1 Na2 Br1' _cell_volume 163.62996280 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 -0.00000000 7.25705633 1 Br Br1 1 0.00000000 0.00000000 -0.00000000 1 Na Na2 1 2.37422117 0.00000000 3.62852817 1 Na Na3 1 -0.00000000 2.37422117 3.62852817 1 [/CIF]
BaBrNa2
I4/mmm
139
tetragonal
4/mmm
2,671.096262
false
[CIF] data_Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74501919 _cell_length_b 2.74501919 _cell_length_c 2.74501919 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc _chemical_formula_sum Tc1 _cell_volume 14.62585148 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tc Tc0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Tc
Fm-3m
225
cubic
m-3m
11,229.279791
false
[CIF] data_InAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38490641 _cell_length_b 4.38490641 _cell_length_c 4.38490641 _cell_angle_alpha 121.99339805 _cell_angle_beta 121.99339805 _cell_angle_gamma 86.58067350 _symmetry_Int_Tables_number 1 _chemical_formula_structural InAs _chemical_formula_sum 'In1 As1' _cell_volume 57.70833101 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 2.12606576 1.59586129 1 As As1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsIn
I-4m2
119
tetragonal
-42m
5,459.697288
false
[CIF] data_HfSbPd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90284545 _cell_length_b 4.90284545 _cell_length_c 4.90284545 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSbPd3 _chemical_formula_sum 'Hf1 Sb1 Pd3' _cell_volume 117.85407681 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 2.45142273 2.45142273 2.45142273 1 Pd Pd2 1 2.45142273 0.00000000 2.45142273 1 Pd Pd3 1 2.45142273 2.45142273 0.00000000 1 Pd Pd4 1 0.00000000 2.45142273 2.45142273 1 [/CIF]
HfPd3Sb
Pm-3m
221
cubic
m-3m
8,728.765139
false
[CIF] data_Zr2HgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05417689 _cell_length_b 5.05417689 _cell_length_c 5.05417689 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2HgBi _chemical_formula_sum 'Zr2 Hg1 Bi1' _cell_volume 91.29275551 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.57384275 3.57384275 3.57384275 1 Hg Hg1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.78692138 1.78692138 1.78692138 1 Zr Zr3 1 5.36076413 5.36076413 5.36076413 1 [/CIF]
BiHgZr2
Fm-3m
225
cubic
m-3m
10,768.320836
false
[CIF] data_HfMg2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38561893 _cell_length_b 3.38561893 _cell_length_c 7.57817759 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMg2Se _chemical_formula_sum 'Hf1 Mg2 Se1' _cell_volume 86.86422057 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69280947 1.69280947 5.40075127 1 Mg Mg1 1 0.00000000 0.00000000 7.46866004 1 Mg Mg2 1 1.69280947 1.69280947 2.01649205 1 Se Se3 1 0.00000000 0.00000000 4.05954062 1 [/CIF]
HfMg2Se
P4mm
99
tetragonal
4mm
5,850.793151
false
[CIF] data_AlInAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90054644 _cell_length_b 4.90054644 _cell_length_c 4.90054644 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlInAs2 _chemical_formula_sum 'Al1 In1 As2' _cell_volume 83.21824063 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 As As1 1 3.46520962 3.46520962 3.46520962 1 As As2 1 1.73260481 1.73260481 1.73260481 1 In In3 1 5.19781443 5.19781443 5.19781443 1 [/CIF]
AlAs2In
F-43m
216
cubic
-43m
5,819.447242
false
[CIF] data_ZrNbSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56145577 _cell_length_b 4.56145577 _cell_length_c 4.56145577 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNbSi2 _chemical_formula_sum 'Zr1 Nb1 Si2' _cell_volume 67.11126231 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61271816 1.61271816 1.61271815 1 Si Si1 1 4.83815447 4.83815447 4.83815447 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.22543631 3.22543631 3.22543631 1 [/CIF]
NbSi2Zr
F-43m
216
cubic
-43m
5,945.795318
false
[CIF] data_GaBAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87260526 _cell_length_b 3.87260526 _cell_length_c 6.74378435 _cell_angle_alpha 113.87414310 _cell_angle_beta 113.87414310 _cell_angle_gamma 49.16896477 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaBAs2 _chemical_formula_sum 'Ga1 B1 As2' _cell_volume 68.52707736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 -2.79285522 -0.00000000 5.93419146 1 As As1 1 -0.96616777 0.00000000 4.22527258 1 B B2 1 2.43262399 -0.00000000 2.93450587 1 Ga Ga3 1 4.38731170 0.00000000 2.00355942 1 [/CIF]
As2BGa
Cm
8
monoclinic
m
5,582.469812
false
[CIF] data_ZrTaNiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62813965 _cell_length_b 4.62813965 _cell_length_c 4.62813965 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaNiAu _chemical_formula_sum 'Zr1 Ta1 Ni1 Au1' _cell_volume 70.09779656 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.27258893 3.27258893 3.27258893 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 4.90888340 4.90888340 4.90888340 1 Zr Zr3 1 1.63629446 1.63629447 1.63629446 1 [/CIF]
AuNiTaZr
F-43m
216
cubic
-43m
12,503.751172
false
[CIF] data_Mg3Pb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.04618133 _cell_length_b 9.04618133 _cell_length_c 9.04618133 _cell_angle_alpha 96.97415797 _cell_angle_beta 96.97415797 _cell_angle_gamma 139.21417344 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3Pb5 _chemical_formula_sum 'Mg6 Pb10' _cell_volume 453.26735625 _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 0.00000000 -0.00000000 4.72829581 1 Mg Mg1 1 0.00000000 0.00000000 1.57609860 1 Mg Mg2 1 8.11698597 2.12127712 0.00000000 1 Mg Mg3 1 -2.12127712 3.87443174 3.15219721 1 Mg Mg4 1 2.12127712 3.87443174 0.00000000 1 Mg Mg5 1 3.87443174 2.12127712 3.15219721 1 Pb Pb6 1 5.99570886 -0.00000000 1.57609860 1 Pb Pb7 1 -0.00000000 5.99570886 1.57609860 1 Pb Pb8 1 0.79548637 2.72637527 3.15219721 1 Pb Pb9 1 5.20022249 3.26933359 0.00000000 1 Pb Pb10 1 0.79548637 9.26504245 0.00000000 1 Pb Pb11 1 5.20022249 -3.26933359 3.15219721 1 Pb Pb12 1 3.26933359 5.20022249 3.15219721 1 Pb Pb13 1 2.72637527 0.79548637 0.00000000 1 Pb Pb14 1 2.72637527 -0.79548637 3.15219721 1 Pb Pb15 1 3.26933359 6.79119523 0.00000000 1 [/CIF]
Mg6Pb10
I4/mcm
140
tetragonal
4/mmm
8,124.991541
false
[CIF] data_Zr2NbCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97374594 _cell_length_b 2.97374594 _cell_length_c 9.58982697 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2NbCd _chemical_formula_sum 'Zr2 Nb1 Cd1' _cell_volume 84.80442141 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.79491349 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.48687297 1.48687297 2.31022739 1 Zr Zr3 1 1.48687297 1.48687297 7.27959958 1 [/CIF]
CdNbZr2
P4/mmm
123
tetragonal
4/mmm
7,592.759333
false
[CIF] data_MgZnSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35514444 _cell_length_b 5.35514444 _cell_length_c 5.35514444 _cell_angle_alpha 142.61429537 _cell_angle_beta 134.62676398 _cell_angle_gamma 60.19486605 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZnSb _chemical_formula_sum 'Mg1 Zn1 Sb1' _cell_volume 65.69570773 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.23402653 1 Sb Sb1 1 -0.00000000 -0.00000000 6.17795772 1 Zn Zn2 1 -0.00000000 0.00000000 3.12054031 1 [/CIF]
MgSbZn
Imm2
44
orthorhombic
mm2
5,344.530032
false
[CIF] data_HfPbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31166032 _cell_length_b 3.31166032 _cell_length_c 7.33184198 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfPbAu _chemical_formula_sum 'Hf1 Pb1 Au1' _cell_volume 69.63623748 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 1.91198799 0.16067504 1 Hf Hf1 1 0.00000000 0.00000000 2.26445560 1 Pb Pb2 1 1.65583015 0.95599400 4.90671134 1 [/CIF]
AuHfPb
P3m1
156
trigonal
3m
13,893.972892
false
[CIF] data_V2MoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26571437 _cell_length_b 4.26571437 _cell_length_c 3.17926669 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2MoPd _chemical_formula_sum 'V2 Mo1 Pd1' _cell_volume 57.85095115 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 2.13285719 2.13285719 0.00000000 1 V V2 1 2.13285719 0.00000000 1.58963334 1 V V3 1 0.00000000 2.13285719 1.58963334 1 [/CIF]
MoPdV2
P4/mmm
123
tetragonal
4/mmm
8,733.488179
false
[CIF] data_Ba2BePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05791028 _cell_length_b 4.54015168 _cell_length_c 7.04372073 _cell_angle_alpha 90.00000000 _cell_angle_beta 110.97300730 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2BePb _chemical_formula_sum 'Ba2 Be1 Pb1' _cell_volume 151.03369026 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.31750928 0.00000000 0.62322451 1 Ba Ba1 1 0.29598775 2.27007584 4.36647301 1 Be Be2 1 2.88543296 0.00000000 3.10362966 1 Pb Pb3 1 2.83517240 2.27007584 1.77227530 1 [/CIF]
Ba2BePb
Pm
6
monoclinic
m
5,396.825505
false
[CIF] data_Sc2TaGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34576502 _cell_length_b 5.34576502 _cell_length_c 5.34576502 _cell_angle_alpha 134.37495406 _cell_angle_beta 134.37495406 _cell_angle_gamma 66.50294656 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2TaGa _chemical_formula_sum 'Sc2 Ta1 Ga1' _cell_volume 76.81870952 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 2.07264433 -0.00000000 2.23525696 1 Sc Sc2 1 -0.00000000 2.07264433 2.23525696 1 Ta Ta3 1 0.00000000 -0.00000000 4.47051391 1 [/CIF]
GaSc2Ta
I4/mmm
139
tetragonal
4/mmm
7,362.1503
false
[CIF] data_CeZnIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78309561 _cell_length_b 4.78309561 _cell_length_c 7.37412479 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeZnIn _chemical_formula_sum 'Ce2 Zn2 In2' _cell_volume 146.10303560 _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 Ce Ce0 1 0.00000000 0.00000000 3.68706239 1 Ce Ce1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 0.00000000 2.76152154 1.84353120 1 Zn Zn3 1 2.39154781 1.38076077 5.53059359 1 In In4 1 0.00000000 2.76152154 5.53059359 1 In In5 1 2.39154781 1.38076077 1.84353120 1 [/CIF]
Ce2In2Zn2
P6_3/mmc
194
hexagonal
6/mmm
7,282.402881
false
[CIF] data_K2VCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66357182 _cell_length_b 6.66357182 _cell_length_c 2.86529904 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 129.71482141 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2VCr _chemical_formula_sum 'K2 V1 Cr1' _cell_volume 97.86846028 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.83116799 -0.00000000 0.00000000 1 K K1 1 1.41558399 -3.01610996 1.43264952 1 K K2 1 1.41558399 3.01610996 1.43264952 1 V V3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
CrK2V
Cmmm
65
orthorhombic
mmm
3,073.313042
false
[CIF] data_CrAgSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40933901 _cell_length_b 3.40933901 _cell_length_c 7.30651819 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAgSn2 _chemical_formula_sum 'Cr1 Ag1 Sn2' _cell_volume 84.92798993 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.65325910 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.70466951 1.70466951 1.71064734 1 Sn Sn3 1 1.70466951 1.70466951 5.59587085 1 [/CIF]
AgCrSn2
P4/mmm
123
tetragonal
4/mmm
7,767.828972
false
[CIF] data_CaHfOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59291781 _cell_length_b 4.59291781 _cell_length_c 6.04015405 _cell_angle_alpha 99.64421546 _cell_angle_beta 99.64421546 _cell_angle_gamma 39.62402167 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHfOs2 _chemical_formula_sum 'Ca1 Hf1 Os2' _cell_volume 79.96073352 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.78327796 -0.00000000 2.97180985 1 Os Os2 1 1.32738018 -0.00000000 4.10202325 1 Os Os3 1 6.23917575 -0.00000000 1.84159644 1 [/CIF]
CaHfOs2
C2/m
12
monoclinic
2/m
12,439.973374
false
[CIF] data_Pt2SeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74262007 _cell_length_b 6.74262007 _cell_length_c 6.74262007 _cell_angle_alpha 149.49481623 _cell_angle_beta 148.63161608 _cell_angle_gamma 44.32225486 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pt2SeBr _chemical_formula_sum 'Pt2 Se1 Br1' _cell_volume 80.76028016 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82276503 3.31375964 1 Pt Pt1 1 -0.00000000 0.00000000 0.43788427 1 Pt Pt2 1 1.77381382 -0.00000000 2.66986090 1 Se Se3 1 0.00000000 0.00000000 6.06753641 1 [/CIF]
BrPt2Se
Imm2
44
orthorhombic
mm2
11,288.83014
false
[CIF] data_ZrFe2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21297332 _cell_length_b 4.21297332 _cell_length_c 4.21297332 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrFe2Ni _chemical_formula_sum 'Zr1 Fe2 Ni1' _cell_volume 52.87509091 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.46853300 4.46853300 4.46853300 1 Fe Fe1 1 1.48951100 1.48951100 1.48951100 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 2.97902200 2.97902200 2.97902200 1 [/CIF]
Fe2NiZr
Fm-3m
225
cubic
m-3m
8,215.764745
false
[CIF] data_NaCo2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28149462 _cell_length_b 5.28149462 _cell_length_c 3.00329001 _cell_angle_alpha 101.45968001 _cell_angle_beta 101.45968001 _cell_angle_gamma 114.84691151 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCo2Pb _chemical_formula_sum 'Na1 Co2 Pb1' _cell_volume 70.65494710 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.86774198 -2.22528616 1.39567395 1 Co Co1 1 0.86774198 2.22528617 1.39567395 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 2.84369327 -0.00000000 0.00000000 1 [/CIF]
Co2NaPb
C2/m
12
monoclinic
2/m
8,180.047874
false
[CIF] data_ZrSbMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68490204 _cell_length_b 4.68490204 _cell_length_c 4.68490204 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSbMo2 _chemical_formula_sum 'Zr1 Sb1 Mo2' _cell_volume 72.70872759 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65636300 1.65636300 1.65636300 1 Mo Mo1 1 4.96908900 4.96908900 4.96908900 1 Sb Sb2 1 3.31272600 3.31272600 3.31272600 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2SbZr
Fm-3m
225
cubic
m-3m
9,247.293035
false
[CIF] data_SmUV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80535805 _cell_length_b 4.80535805 _cell_length_c 4.80535805 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmUV2 _chemical_formula_sum 'Sm1 U1 V2' _cell_volume 78.46252144 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.00000000 0.00000000 0.00000000 1 U U1 1 3.39790126 3.39790126 3.39790126 1 V V2 1 5.09685189 5.09685189 5.09685189 1 V V3 1 1.69895063 1.69895063 1.69895063 1 [/CIF]
SmUV2
Fm-3m
225
cubic
m-3m
10,375.853909
false
[CIF] data_LiCdRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42714374 _cell_length_b 4.42714374 _cell_length_c 4.42714374 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCdRe _chemical_formula_sum 'Li1 Cd1 Re1' _cell_volume 61.35583498 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56523168 1.56523168 1.56523168 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 3.13046336 3.13046336 3.13046336 1 [/CIF]
CdLiRe
F-43m
216
cubic
-43m
8,269.672425
false
[CIF] data_GeSbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57423297 _cell_length_b 4.57423297 _cell_length_c 4.57423297 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeSbW _chemical_formula_sum 'Ge1 Sb1 W1' _cell_volume 67.67680397 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 1.61723558 1.61723558 1.61723558 1 W W2 1 3.23447115 3.23447115 3.23447115 1 [/CIF]
GeSbW
F-43m
216
cubic
-43m
9,280.614031
false
[CIF] data_Mn2AlCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72694732 _cell_length_b 2.72694732 _cell_length_c 7.06034766 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2AlCu _chemical_formula_sum 'Mn2 Al1 Cu1' _cell_volume 52.50245159 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 0.00000000 0.00000000 3.53017383 1 Mn Mn2 1 1.36347366 1.36347366 5.27217877 1 Mn Mn3 1 1.36347366 1.36347366 1.78816889 1 [/CIF]
AlCuMn2
P4/mmm
123
tetragonal
4/mmm
6,338.333627
false
[CIF] data_Y2MnP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55328244 _cell_length_b 3.62109871 _cell_length_c 6.64261894 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.06048502 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2MnP _chemical_formula_sum 'Y2 Mn1 P1' _cell_volume 85.34725723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.17732519 0.00000000 3.31657238 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 1.65153351 1.81054936 1.57051649 1 Y Y3 1 1.54709855 1.81054936 5.06262828 1 [/CIF]
MnPY2
P2/m
10
monoclinic
2/m
5,131.075097
false
[CIF] data_HgOs2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50844801 _cell_length_b 4.50844801 _cell_length_c 4.50844801 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgOs2Pd _chemical_formula_sum 'Hg1 Os2 Pd1' _cell_volume 64.79868606 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.78193124 4.78193124 4.78193124 1 Os Os1 1 1.59397708 1.59397708 1.59397708 1 Os Os2 1 3.18795416 3.18795416 3.18795416 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgOs2Pd
F-43m
216
cubic
-43m
17,617.190433
false
[CIF] data_MnBePb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29067580 _cell_length_b 3.29067580 _cell_length_c 8.01814933 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBePb2 _chemical_formula_sum 'Mn1 Be1 Pb2' _cell_volume 86.82490838 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.50691923 1 Mn Mn1 1 1.64533790 1.64533790 5.63016998 1 Pb Pb2 1 0.00000000 0.00000000 7.25374355 1 Pb Pb3 1 1.64533790 1.64533790 2.65454055 1 [/CIF]
BeMnPb2
P4mm
99
tetragonal
4mm
9,148.831548
false
[CIF] data_NbVInHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75013055 _cell_length_b 4.75013055 _cell_length_c 4.75013055 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbVInHg _chemical_formula_sum 'Nb1 V1 In1 Hg1' _cell_volume 75.78820793 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.35884952 3.35884952 3.35884952 1 In In1 1 1.67942476 1.67942476 1.67942476 1 Nb Nb2 1 5.03827428 5.03827428 5.03827428 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgInNbV
F-43m
216
cubic
-43m
10,062.414077
false
[CIF] data_IrAu3Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81207541 _cell_length_b 4.81207541 _cell_length_c 4.81207541 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrAu3Se _chemical_formula_sum 'Ir1 Au3 Se1' _cell_volume 111.42875384 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.40603771 2.40603771 2.40603771 1 Au Au1 1 0.00000000 2.40603771 0.00000000 1 Au Au2 1 0.00000000 0.00000000 2.40603771 1 Au Au3 1 2.40603771 0.00000000 0.00000000 1 Se Se4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au3IrSe
Pm-3m
221
cubic
m-3m
12,846.881985
false
[CIF] data_GaBiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08421632 _cell_length_b 5.08421632 _cell_length_c 5.08421632 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaBiPb _chemical_formula_sum 'Ga1 Bi1 Pb1' _cell_volume 92.93024120 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79754192 1.79754192 1.79754192 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 5.39262576 5.39262576 5.39262576 1 [/CIF]
BiGaPb
F-43m
216
cubic
-43m
8,682.443603
false
[CIF] data_BaCoRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99460128 _cell_length_b 5.99460128 _cell_length_c 2.85590910 _cell_angle_alpha 100.27663840 _cell_angle_beta 100.27663840 _cell_angle_gamma 127.55010995 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCoRe2 _chemical_formula_sum 'Ba1 Co1 Re2' _cell_volume 74.43992969 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.64899304 -0.00000000 0.00000000 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 0.74800724 2.68877669 1.30641276 1 Re Re3 1 0.74800724 -2.68877669 1.30641276 1 [/CIF]
BaCoRe2
C2/m
12
monoclinic
2/m
12,685.472984
false
[CIF] data_La2MnRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54185490 _cell_length_b 3.54185490 _cell_length_c 7.14406098 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2MnRe _chemical_formula_sum 'La2 Mn1 Re1' _cell_volume 89.62035991 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77092745 1.77092745 5.36038063 1 La La1 1 1.77092745 1.77092745 1.78368035 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 0.00000000 0.00000000 3.57203049 1 [/CIF]
La2MnRe
P4/mmm
123
tetragonal
4/mmm
9,615.523613
false
[CIF] data_InTe2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19533216 _cell_length_b 3.19533216 _cell_length_c 9.57608735 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InTe2Ru _chemical_formula_sum 'In1 Te2 Ru1' _cell_volume 97.77326563 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59766608 1.59766608 5.29099654 1 Ru Ru1 1 0.00000000 0.00000000 7.29768815 1 Te Te2 1 1.59766608 1.59766608 8.76276650 1 Te Te3 1 0.00000000 0.00000000 2.58876718 1 [/CIF]
InRuTe2
P4mm
99
tetragonal
4mm
8,000.811116
false
[CIF] data_BeAs2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26762187 _cell_length_b 3.26762187 _cell_length_c 5.62431498 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAs2W _chemical_formula_sum 'Be1 As2 W1' _cell_volume 60.05279447 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.63381093 1.63381093 4.21276726 1 As As1 1 1.63381093 1.63381093 1.41154772 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 2.81215749 1 [/CIF]
As2BeW
P4/mmm
123
tetragonal
4/mmm
9,475.980783
false
[CIF] data_PRuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06536064 _cell_length_b 4.06536064 _cell_length_c 4.06536064 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PRuRh _chemical_formula_sum 'P1 Ru1 Rh1' _cell_volume 47.50969453 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 2.87464408 2.87464408 2.87464408 1 Ru Ru2 1 4.31196612 4.31196612 4.31196612 1 [/CIF]
PRhRu
F-43m
216
cubic
-43m
8,211.848805
false
[CIF] data_Ag2SbRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70549303 _cell_length_b 4.70549303 _cell_length_c 4.70549303 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2SbRh _chemical_formula_sum 'Ag2 Sb1 Rh1' _cell_volume 73.67165147 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.99092904 4.99092904 4.99092904 1 Ag Ag1 1 1.66364301 1.66364301 1.66364301 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 3.32728603 3.32728603 3.32728603 1 [/CIF]
Ag2RhSb
Fm-3m
225
cubic
m-3m
9,926.539521
false
[CIF] data_ScTcPdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56549341 _cell_length_b 4.56549341 _cell_length_c 4.56549341 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTcPdPt _chemical_formula_sum 'Sc1 Tc1 Pd1 Pt1' _cell_volume 67.28963352 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 4.84243703 4.84243703 4.84243703 1 Pt Pt1 1 1.61414568 1.61414568 1.61414567 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 3.22829135 3.22829135 3.22829135 1 [/CIF]
PdPtScTc
F-43m
216
cubic
-43m
10,990.516506
false
[CIF] data_FeSiMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14786332 _cell_length_b 4.10675397 _cell_length_c 4.21243902 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSiMo2 _chemical_formula_sum 'Fe1 Si1 Mo2' _cell_volume 54.45630622 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 1.57393166 0.00000000 2.10621951 1 Mo Mo1 1 1.57393166 2.05337698 0.00000000 1 Mo Mo2 1 0.00000000 2.05337698 2.10621951 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeMo2Si
Pmmm
47
orthorhombic
mmm
8,411.524094
false
[CIF] data_KFe2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38518492 _cell_length_b 3.38518492 _cell_length_c 7.77621786 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KFe2Se _chemical_formula_sum 'K1 Fe2 Se1' _cell_volume 89.11138915 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 1.69259246 1.69259246 5.02506236 1 Fe Fe1 1 1.69259246 1.69259246 2.75115550 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 0.00000000 0.00000000 3.88810893 1 [/CIF]
Fe2KSe
P4/mmm
123
tetragonal
4/mmm
4,281.227219
false
[CIF] data_TlZn2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20863136 _cell_length_b 4.25261954 _cell_length_c 6.32804918 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZn2Cd _chemical_formula_sum 'Tl1 Zn2 Cd1' _cell_volume 86.34679058 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tl Tl1 1 0.00000000 0.00000000 3.16402459 1 Zn Zn2 1 1.60431568 2.12630977 4.91868897 1 Zn Zn3 1 1.60431568 2.12630977 1.40936021 1 [/CIF]
CdTlZn2
Pmmm
47
orthorhombic
mmm
8,606.93715
false
[CIF] data_Cd2GaRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98108065 _cell_length_b 3.98108065 _cell_length_c 4.47775586 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2GaRe _chemical_formula_sum 'Cd2 Ga1 Re1' _cell_volume 70.96796669 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.99054032 0.00000000 2.23887793 1 Cd Cd1 1 0.00000000 1.99054032 2.23887793 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 1.99054032 1.99054032 0.00000000 1 [/CIF]
Cd2GaRe
P4/mmm
123
tetragonal
4/mmm
11,248.842464
false
[CIF] data_ReRu4Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06366384 _cell_length_b 5.06366384 _cell_length_c 5.06366384 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReRu4Au _chemical_formula_sum 'Re1 Ru4 Au1' _cell_volume 91.80780462 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 5.37082656 5.37082656 5.37082656 1 Re Re1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 4.47544561 4.47544561 2.68565647 1 Ru Ru3 1 4.47544561 2.68565647 4.47544561 1 Ru Ru4 1 2.68565647 4.47544561 4.47544561 1 Ru Ru5 1 2.68565647 2.68565647 2.68565647 1 [/CIF]
AuReRu4
F-43m
216
cubic
-43m
14,242.769663
false
[CIF] data_TaSn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59057343 _cell_length_b 5.59057343 _cell_length_c 5.31630435 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSn5 _chemical_formula_sum 'Ta1 Sn5' _cell_volume 143.89747686 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sn Sn0 1 3.84437000 0.00000000 2.65815218 1 Sn Sn1 1 0.87310171 1.51225652 2.65815218 1 Sn Sn2 1 -1.92218500 3.32932208 2.65815218 1 Sn Sn3 1 2.79528671 1.61385954 0.00000000 1 Sn Sn4 1 0.00000000 3.22771907 0.00000000 1 Ta Ta5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sn5Ta
P-62m
189
hexagonal
-6m2
8,937.502003
false
[CIF] data_NaVPd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24147950 _cell_length_b 5.24147950 _cell_length_c 5.24147950 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaVPd4 _chemical_formula_sum 'Na1 V1 Pd4' _cell_volume 101.82318502 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 4.63042373 4.63042373 2.78214767 1 Pd Pd2 1 4.63042373 2.78214767 4.63042373 1 Pd Pd3 1 2.78214767 4.63042373 4.63042373 1 Pd Pd4 1 2.78214767 2.78214767 2.78214767 1 V V5 1 5.55942855 5.55942855 5.55942855 1 [/CIF]
NaPd4V
F-43m
216
cubic
-43m
8,147.692793
false
[CIF] data_Tl2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00363111 _cell_length_b 6.00363111 _cell_length_c 6.00363111 _cell_angle_alpha 146.48435748 _cell_angle_beta 131.94263723 _cell_angle_gamma 59.85955228 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2In _chemical_formula_sum 'Tl2 In1' _cell_volume 88.06960515 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tl Tl1 1 0.00000000 -0.00000000 6.93414165 1 Tl Tl2 1 0.00000000 0.00000000 3.47180293 1 [/CIF]
InTl2
Immm
71
orthorhombic
mmm
9,872.108333
false
[CIF] data_MgAlGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31901940 _cell_length_b 3.31901940 _cell_length_c 6.93529002 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAlGa2 _chemical_formula_sum 'Mg1 Al1 Ga2' _cell_volume 76.39839044 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.65950970 1.65950970 5.34053846 1 Ga Ga1 1 0.00000000 0.00000000 6.90616888 1 Ga Ga2 1 1.65950970 1.65950970 1.65851413 1 Mg Mg3 1 0.00000000 0.00000000 3.43300358 1 [/CIF]
AlGa2Mg
P4mm
99
tetragonal
4mm
4,145.621784
false
[CIF] data_FeRhBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78600828 _cell_length_b 5.78600828 _cell_length_c 5.78600828 _cell_angle_alpha 142.69192349 _cell_angle_beta 142.69192349 _cell_angle_gamma 53.78789778 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeRhBr2 _chemical_formula_sum 'Fe1 Rh1 Br2' _cell_volume 70.69483249 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.16022433 1 Br Br1 1 0.00000000 1.85067240 2.58011216 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 1.85067240 -0.00000000 2.58011216 1 [/CIF]
Br2FeRh
I-4m2
119
tetragonal
-42m
7,482.567193
false
[CIF] data_BeIn2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83349453 _cell_length_b 4.83349453 _cell_length_c 4.83349453 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeIn2P _chemical_formula_sum 'Be1 In2 P1' _cell_volume 79.84885573 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 1.70889838 1.70889838 1.70889838 1 In In2 1 5.12669514 5.12669514 5.12669514 1 P P3 1 3.41779676 3.41779676 3.41779676 1 [/CIF]
BeIn2P
Fm-3m
225
cubic
m-3m
5,607.065588
false
[CIF] data_KCaSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99370735 _cell_length_b 6.99370735 _cell_length_c 6.99370735 _cell_angle_alpha 143.42320307 _cell_angle_beta 143.42320307 _cell_angle_gamma 52.69068451 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCaSb _chemical_formula_sum 'K1 Ca1 Sb1' _cell_volume 120.74314754 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.75915833 1 K K1 1 0.00000000 -0.00000000 4.06738023 1 Sb Sb2 1 0.00000000 0.00000000 7.70808052 1 [/CIF]
CaKSb
I4mm
107
tetragonal
4mm
2,763.407968
false
[CIF] data_Na2ZnTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32230287 _cell_length_b 5.32230287 _cell_length_c 5.32230287 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2ZnTe _chemical_formula_sum 'Na2 Zn1 Te1' _cell_volume 106.60651743 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88171823 1.88171823 1.88171823 1 Na Na1 1 5.64515468 5.64515468 5.64515468 1 Te Te2 1 3.76343645 3.76343645 3.76343645 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Na2TeZn
Fm-3m
225
cubic
m-3m
3,722.114357
false
[CIF] data_La4NiCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34791850 _cell_length_b 6.34791850 _cell_length_c 6.34791850 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La4NiCl _chemical_formula_sum 'La4 Ni1 Cl1' _cell_volume 180.87520221 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 5.61059453 5.61059453 3.36671791 1 La La2 1 5.61059453 3.36671791 5.61059453 1 La La3 1 3.36671791 5.61059453 5.61059453 1 La La4 1 3.36671791 3.36671791 3.36671791 1 Ni Ni5 1 6.73298433 6.73298433 6.73298433 1 [/CIF]
ClLa4Ni
F-43m
216
cubic
-43m
5,965.248967
false
[CIF] data_InCuTcMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46481552 _cell_length_b 4.46481552 _cell_length_c 4.46481552 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCuTcMo _chemical_formula_sum 'In1 Cu1 Tc1 Mo1' _cell_volume 62.93548150 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 3.15710133 3.15710133 3.15710133 1 Mo Mo2 1 1.57855066 1.57855066 1.57855067 1 Tc Tc3 1 4.73565200 4.73565200 4.73565200 1 [/CIF]
CuInMoTc
F-43m
216
cubic
-43m
9,847.598098
false
[CIF] data_ZrCoW4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31198088 _cell_length_b 5.31198088 _cell_length_c 5.31198088 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCoW4 _chemical_formula_sum 'Zr1 Co1 W4' _cell_volume 105.98746651 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 4.69477142 4.69477142 2.81750398 1 W W2 1 4.69477142 2.81750398 4.69477142 1 W W3 1 2.81750398 4.69477142 4.69477142 1 W W4 1 2.81750398 2.81750398 2.81750398 1 Zr Zr5 1 5.63420655 5.63420655 5.63420655 1 [/CIF]
CoW4Zr
F-43m
216
cubic
-43m
13,873.67719
false
[CIF] data_ZrGa2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52023653 _cell_length_b 4.52023653 _cell_length_c 4.52023653 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGa2Re _chemical_formula_sum 'Zr1 Ga2 Re1' _cell_volume 65.30831564 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59814495 1.59814495 1.59814495 1 Ga Ga1 1 4.79443485 4.79443485 4.79443485 1 Re Re2 1 3.19628990 3.19628990 3.19628990 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2ReZr
Fm-3m
225
cubic
m-3m
10,599.577369
false
[CIF] data_NbZn2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77399716 _cell_length_b 4.40130676 _cell_length_c 5.15405929 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.26950176 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbZn2Mo _chemical_formula_sum 'Nb1 Zn2 Mo1' _cell_volume 62.55065272 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.05864263 2.20065338 2.48581999 1 Nb Nb1 1 0.35503063 0.00000000 3.89733557 1 Zn Zn2 1 1.83427762 2.20065338 5.08499948 1 Zn Zn3 1 2.27991664 0.00000000 1.33993006 1 [/CIF]
MoNbZn2
Pm
6
monoclinic
m
8,485.156712
false
[CIF] data_BaTc3Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86098995 _cell_length_b 4.86098995 _cell_length_c 4.86098995 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTc3Ir _chemical_formula_sum 'Ba1 Tc3 Ir1' _cell_volume 114.86141696 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.43049497 2.43049497 2.43049497 1 Ba Ba1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 2.43049497 0.00000000 2.43049497 1 Tc Tc3 1 2.43049497 2.43049497 0.00000000 1 Tc Tc4 1 0.00000000 2.43049497 2.43049497 1 [/CIF]
BaIrTc3
Pm-3m
221
cubic
m-3m
9,053.81059
false
[CIF] data_CrSiBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00713857 _cell_length_b 6.00713857 _cell_length_c 6.00713857 _cell_angle_alpha 138.25441286 _cell_angle_beta 138.25441286 _cell_angle_gamma 60.51357616 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrSiBi2 _chemical_formula_sum 'Cr1 Si1 Bi2' _cell_volume 95.07840247 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.14030959 -0.00000000 2.59441051 1 Bi Bi1 1 0.00000000 -0.00000000 5.18882101 1 Cr Cr2 1 -0.00000000 2.14030959 2.59441051 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2CrSi
I-4m2
119
tetragonal
-42m
8,698.283107
false
[CIF] data_RbLi2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14818709 _cell_length_b 5.14818709 _cell_length_c 5.14818709 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbLi2Ge _chemical_formula_sum 'Rb1 Li2 Ge1' _cell_volume 96.48237045 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 1.82015900 1.82015900 1.82015900 1 Li Li2 1 5.46047700 5.46047700 5.46047700 1 Rb Rb3 1 3.64031800 3.64031800 3.64031800 1 [/CIF]
GeLi2Rb
Fm-3m
225
cubic
m-3m
2,960.082558
false
[CIF] data_NbAlTcPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48250381 _cell_length_b 4.48250381 _cell_length_c 4.48250381 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAlTcPt _chemical_formula_sum 'Nb1 Al1 Tc1 Pt1' _cell_volume 63.68644454 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.75441326 4.75441326 4.75441326 1 Pt Pt2 1 3.16960884 3.16960884 3.16960884 1 Tc Tc3 1 1.58480442 1.58480442 1.58480442 1 [/CIF]
AlNbPtTc
F-43m
216
cubic
-43m
10,791.319718
false
[CIF] data_AlCd2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25655844 _cell_length_b 5.25655844 _cell_length_c 5.55709164 _cell_angle_alpha 102.31749514 _cell_angle_beta 102.31749514 _cell_angle_gamma 31.91580318 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCd2Si _chemical_formula_sum 'Al1 Cd2 Si1' _cell_volume 79.15437355 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.32062423 -0.00000000 1.50135771 1 Cd Cd1 1 0.04853248 -0.00000000 0.00342925 1 Cd Cd2 1 1.54389327 -0.00000000 4.08415700 1 Si Si3 1 4.39942118 -0.00000000 2.53892107 1 [/CIF]
AlCd2Si
Cm
8
monoclinic
m
5,871.648806
false
[CIF] data_CaYTlGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39813212 _cell_length_b 5.39813212 _cell_length_c 5.39813212 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYTlGa _chemical_formula_sum 'Ca1 Y1 Tl1 Ga1' _cell_volume 111.22835958 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 5.72558375 5.72558375 5.72558375 1 Tl Tl2 1 3.81705583 3.81705583 3.81705583 1 Y Y3 1 1.90852792 1.90852792 1.90852791 1 [/CIF]
CaGaTlY
F-43m
216
cubic
-43m
6,017.772301
false
[CIF] data_RbPmOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04214653 _cell_length_b 5.04214653 _cell_length_c 5.04214653 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbPmOs2 _chemical_formula_sum 'Rb1 Pm1 Os2' _cell_volume 90.64239846 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 1.78266800 1.78266800 1.78266800 1 Os Os1 1 5.34800400 5.34800400 5.34800400 1 Pm Pm2 1 3.56533600 3.56533600 3.56533600 1 Rb Rb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Os2PmRb
Fm-3m
225
cubic
m-3m
11,191.997299
false
[CIF] data_LiZrMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29664035 _cell_length_b 5.29664035 _cell_length_c 5.29664035 _cell_angle_alpha 143.81359546 _cell_angle_beta 143.81359546 _cell_angle_gamma 52.10612349 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZrMn _chemical_formula_sum 'Li1 Zr1 Mn1' _cell_volume 51.50228474 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.36207936 1 Mn Mn1 1 -0.00000000 0.00000000 3.23859166 1 Zr Zr2 1 -0.00000000 0.00000000 6.43307481 1 [/CIF]
LiMnZr
I4mm
107
tetragonal
4mm
4,936.355517
false
[CIF] data_K2MgCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87506442 _cell_length_b 5.87506442 _cell_length_c 5.87506442 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2MgCo _chemical_formula_sum 'K2 Mg1 Co1' _cell_volume 143.39133257 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.15429789 4.15429789 4.15429789 1 K K1 1 2.07714895 2.07714895 2.07714895 1 K K2 1 6.23144684 6.23144684 6.23144684 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoK2Mg
Fm-3m
225
cubic
m-3m
1,869.490847
false
[CIF] data_NiTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88342249 _cell_length_b 3.88342249 _cell_length_c 5.24161574 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiTe2 _chemical_formula_sum 'Ni1 Te2' _cell_volume 68.45813996 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Te Te1 1 1.94171125 1.12104751 3.93762366 1 Te Te2 1 0.00000000 2.24209502 1.30399208 1 [/CIF]
NiTe2
P-3m1
164
trigonal
-3m
7,613.882777
false
[CIF] data_Sb2TePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49313254 _cell_length_b 4.49313254 _cell_length_c 6.09184572 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb2TePb _chemical_formula_sum 'Sb2 Te1 Pb1' _cell_volume 122.98364357 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 2.24656627 2.24656627 0.00000000 1 Sb Sb1 1 2.24656627 0.00000000 3.04592286 1 Sb Sb2 1 0.00000000 2.24656627 3.04592286 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbSb2Te
P4/mmm
123
tetragonal
4/mmm
7,808.542056
false
[CIF] data_YHfZnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83614567 _cell_length_b 4.83614567 _cell_length_c 4.83614567 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHfZnW _chemical_formula_sum 'Y1 Hf1 Zn1 W1' _cell_volume 79.98031759 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.12950710 5.12950710 5.12950710 1 W W1 1 3.41967140 3.41967140 3.41967140 1 Y Y2 1 1.70983570 1.70983570 1.70983570 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfWYZn
F-43m
216
cubic
-43m
10,725.898911
false
[CIF] data_Ta2BiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19720432 _cell_length_b 3.19720432 _cell_length_c 7.90140946 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2BiOs _chemical_formula_sum 'Ta2 Bi1 Os1' _cell_volume 80.76911983 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59860216 1.59860216 4.03709424 1 Os Os1 1 0.00000000 0.00000000 6.34175704 1 Ta Ta2 1 1.59860216 1.59860216 7.70954238 1 Ta Ta3 1 0.00000000 0.00000000 1.66512999 1 [/CIF]
BiOsTa2
P4mm
99
tetragonal
4mm
15,647.644981
false
[CIF] data_Mg2BeSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25550952 _cell_length_b 4.25550952 _cell_length_c 4.23993430 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2BeSn _chemical_formula_sum 'Mg2 Be1 Sn1' _cell_volume 76.78250205 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 0.00000000 2.12775476 2.11996715 1 Mg Mg2 1 2.12775476 0.00000000 2.11996715 1 Sn Sn3 1 2.12775476 2.12775476 0.00000000 1 [/CIF]
BeMg2Sn
P4/mmm
123
tetragonal
4/mmm
3,813.544532
false
[CIF] data_BaNbB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56559481 _cell_length_b 4.56559481 _cell_length_c 4.56559481 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNbB2 _chemical_formula_sum 'Ba1 Nb1 B2' _cell_volume 67.29411711 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.84254457 4.84254457 4.84254458 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Ba Ba2 1 1.61418152 1.61418152 1.61418153 1 Nb Nb3 1 3.22836305 3.22836305 3.22836305 1 [/CIF]
B2BaNb
F-43m
216
cubic
-43m
6,214.743808
false
[CIF] data_In2PtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62477390 _cell_length_b 4.62477390 _cell_length_c 3.31971245 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.07838671 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2PtRh _chemical_formula_sum 'In2 Pt1 Rh1' _cell_volume 70.46262560 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53104890 1.73292316 1.65985622 1 In In1 1 1.53104890 -1.73292316 1.65985622 1 Pt Pt2 1 3.06209780 -0.00000000 0.00000000 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In2PtRh
Cmmm
65
orthorhombic
mmm
12,434.148569
false
[CIF] data_NaSrCdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13195049 _cell_length_b 5.13195049 _cell_length_c 5.13195049 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrCdPt _chemical_formula_sum 'Na1 Sr1 Cd1 Pt1' _cell_volume 95.57237426 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.62883699 3.62883699 3.62883699 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 5.44325549 5.44325549 5.44325549 1 Sr Sr3 1 1.81441849 1.81441850 1.81441850 1 [/CIF]
CdNaPtSr
F-43m
216
cubic
-43m
7,264.435029
false
[CIF] data_LaZn2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83633844 _cell_length_b 4.83633844 _cell_length_c 4.83633844 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZn2W _chemical_formula_sum 'La1 Zn2 W1' _cell_volume 79.98988215 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 3.41980771 3.41980771 3.41980771 1 Zn Zn2 1 5.12971157 5.12971157 5.12971157 1 Zn Zn3 1 1.70990386 1.70990386 1.70990386 1 [/CIF]
LaWZn2
Fm-3m
225
cubic
m-3m
9,414.485052
false
[CIF] data_Sb2TeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26388975 _cell_length_b 5.26388975 _cell_length_c 3.54129592 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.95250280 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb2TeMo _chemical_formula_sum 'Sb2 Te1 Mo1' _cell_volume 94.34534960 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 1.58481508 2.10130792 1.77064796 1 Sb Sb2 1 1.58481508 -2.10130792 1.77064796 1 Te Te3 1 3.16963015 0.00000000 0.00000000 1 [/CIF]
MoSb2Te
Cmmm
65
orthorhombic
mmm
8,220.909568
false
[CIF] data_VAsRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13109608 _cell_length_b 5.13109608 _cell_length_c 5.13109608 _cell_angle_alpha 146.76724511 _cell_angle_beta 129.26633050 _cell_angle_gamma 62.00612535 _symmetry_Int_Tables_number 1 _chemical_formula_structural VAsRh2 _chemical_formula_sum 'V1 As1 Rh2' _cell_volume 56.74304477 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.19822402 2.21323690 1 Rh Rh1 1 -0.00000000 0.00000000 8.54053024 1 Rh Rh2 1 1.46729995 0.00000000 2.24369237 1 V V3 1 -0.00000000 0.00000000 4.59480645 1 [/CIF]
AsRh2V
Imm2
44
orthorhombic
mm2
9,706.172847
false
[CIF] data_BaNa2Yb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08253395 _cell_length_b 6.08253395 _cell_length_c 6.08253395 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNa2Yb _chemical_formula_sum 'Ba1 Na2 Yb1' _cell_volume 159.12507679 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 6.45150150 6.45150150 6.45150150 1 Na Na2 1 2.15050050 2.15050050 2.15050050 1 Yb Yb3 1 4.30100100 4.30100100 4.30100100 1 [/CIF]
BaNa2Yb
Fm-3m
225
cubic
m-3m
3,718.7765
false