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_Tl2SiSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90743929 _cell_length_b 3.90743929 _cell_length_c 6.65134010 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2SiSe _chemical_formula_sum 'Tl2 Si1 Se1' _cell_volume 101.55320450 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Se Se0 1 0.00000000 0.00000000 3.32567005 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.95371964 1.95371964 1.64988061 1 Tl Tl3 1 1.95371964 1.95371964 5.00145949 1 [/CIF]
SeSiTl2
P4/mmm
123
tetragonal
4/mmm
8,434.302443
false
[CIF] data_CaLaAgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01798303 _cell_length_b 5.01798303 _cell_length_c 5.01798303 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLaAgRu _chemical_formula_sum 'Ca1 La1 Ag1 Ru1' _cell_volume 89.34547613 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.54824983 3.54824983 3.54824983 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 5.32237475 5.32237475 5.32237475 1 Ru Ru3 1 1.77412492 1.77412492 1.77412491 1 [/CIF]
AgCaLaRu
F-43m
216
cubic
-43m
7,209.756058
false
[CIF] data_LiScCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16504792 _cell_length_b 5.16504792 _cell_length_c 3.44948762 _cell_angle_alpha 104.73051628 _cell_angle_beta 104.73051628 _cell_angle_gamma 98.07370359 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiScCl2 _chemical_formula_sum 'Li1 Sc1 Cl2' _cell_volume 83.97977188 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69303421 -1.95014491 0.00000000 1 Cl Cl1 1 1.69303421 1.95014491 0.00000000 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 3.38606841 -0.00000000 0.00000000 1 [/CIF]
Cl2LiSc
C2/m
12
monoclinic
2/m
2,428.192269
false
[CIF] data_Ba2VCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74149324 _cell_length_b 6.74149324 _cell_length_c 5.98001330 _cell_angle_alpha 109.96581499 _cell_angle_beta 109.96581499 _cell_angle_gamma 32.18492381 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2VCd _chemical_formula_sum 'Ba2 V1 Cd1' _cell_volume 135.31338913 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.28577176 0.00000000 0.30102348 1 Ba Ba1 1 1.43089912 0.00000000 3.93366848 1 Cd Cd2 1 4.83341953 0.00000000 2.72286391 1 V V3 1 9.69409567 0.00000000 1.42690143 1 [/CIF]
Ba2CdV
Cm
8
monoclinic
m
5,375.128872
false
[CIF] data_HfBiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88180694 _cell_length_b 5.88180694 _cell_length_c 5.88180694 _cell_angle_alpha 146.53256673 _cell_angle_beta 146.53256673 _cell_angle_gamma 48.05639561 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBiB _chemical_formula_sum 'Hf1 Bi1 B1' _cell_volume 61.62874313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.87975121 1 Bi Bi1 1 0.00000000 0.00000000 7.37331149 1 Hf Hf2 1 0.00000000 -0.00000000 4.23541732 1 [/CIF]
BBiHf
I4mm
107
tetragonal
4mm
10,731.394754
false
[CIF] data_DyTi2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66492344 _cell_length_b 4.66492344 _cell_length_c 4.66492344 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyTi2Re _chemical_formula_sum 'Dy1 Ti2 Re1' _cell_volume 71.78249752 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Dy Dy0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 3.29859900 3.29859900 3.29859900 1 Ti Ti2 1 1.64929950 1.64929950 1.64929950 1 Ti Ti3 1 4.94789850 4.94789850 4.94789850 1 [/CIF]
DyReTi2
Fm-3m
225
cubic
m-3m
10,281.219919
false
[CIF] data_CoAg2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78861472 _cell_length_b 2.78861472 _cell_length_c 8.59448874 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.11202256 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoAg2As _chemical_formula_sum 'Co1 Ag2 As1' _cell_volume 66.82135484 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95262057 0.00000000 1.94942308 1 Ag Ag1 1 1.95262057 0.00000000 6.64506566 1 As As2 1 0.00000000 0.00000000 4.29724437 1 Co Co3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2AsCo
Cmmm
65
orthorhombic
mmm
8,687.48977
false
[CIF] data_LaSc2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37090618 _cell_length_b 4.37090618 _cell_length_c 4.29122206 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSc2B _chemical_formula_sum 'La1 Sc2 B1' _cell_volume 81.98302862 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 2.18545309 2.18545309 0.00000000 1 Sc Sc2 1 2.18545309 0.00000000 2.14561103 1 Sc Sc3 1 0.00000000 2.18545309 2.14561103 1 [/CIF]
BLaSc2
P4/mmm
123
tetragonal
4/mmm
4,853.591656
false
[CIF] data_KMgVPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29796393 _cell_length_b 5.29796393 _cell_length_c 5.29796393 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMgVPb _chemical_formula_sum 'K1 Mg1 V1 Pb1' _cell_volume 105.15065764 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 1.87311311 1.87311311 1.87311311 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 3.74622622 3.74622622 3.74622622 1 V V3 1 5.61933933 5.61933933 5.61933933 1 [/CIF]
KMgPbV
F-43m
216
cubic
-43m
5,077.835118
false
[CIF] data_NiSnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27916856 _cell_length_b 4.27916856 _cell_length_c 3.04699594 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiSnPd _chemical_formula_sum 'Ni1 Sn1 Pd1' _cell_volume 48.31937357 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.80357299 1 Pd Pd1 1 -0.00000000 2.47057912 1.05237984 1 Sn Sn2 1 2.13958428 1.23528956 2.23803905 1 [/CIF]
NiPdSn
P3m1
156
trigonal
3m
9,753.848382
false
[CIF] data_Al2SiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19740043 _cell_length_b 4.58142539 _cell_length_c 6.27925969 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.83427282 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2SiBi _chemical_formula_sum 'Al2 Si1 Bi1' _cell_volume 91.93555451 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.13729054 2.29071269 6.10975490 1 Al Al1 1 1.84552176 0.00000000 5.18880032 1 Bi Bi2 1 1.81379868 2.29071269 3.40007778 1 Si Si3 1 0.49701342 0.00000000 0.99147238 1 [/CIF]
Al2BiSi
Pm
6
monoclinic
m
5,256.562477
false
[CIF] data_V2MoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67728214 _cell_length_b 4.67728214 _cell_length_c 4.96609261 _cell_angle_alpha 96.07364700 _cell_angle_beta 96.07364700 _cell_angle_gamma 33.05518213 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2MoPt _chemical_formula_sum 'V2 Mo1 Pt1' _cell_volume 58.89695579 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 4.20998443 0.00000000 2.46787720 1 V V2 1 1.72612516 -0.00000000 3.72082754 1 V V3 1 6.69384369 -0.00000000 1.21492686 1 [/CIF]
MoPtV2
C2/m
12
monoclinic
2/m
11,078.172464
false
[CIF] data_NaSb2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45500898 _cell_length_b 5.45500898 _cell_length_c 5.45500898 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSb2Pb _chemical_formula_sum 'Na1 Sb2 Pb1' _cell_volume 114.78137192 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 5.78591076 5.78591076 5.78591076 1 Sb Sb2 1 3.85727384 3.85727384 3.85727384 1 Sb Sb3 1 1.92863692 1.92863692 1.92863692 1 [/CIF]
NaPbSb2
F-43m
216
cubic
-43m
6,853.146682
false
[CIF] data_PdBrCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35016518 _cell_length_b 6.35016518 _cell_length_c 6.35016518 _cell_angle_alpha 149.75904444 _cell_angle_beta 121.89932927 _cell_angle_gamma 66.89960773 _symmetry_Int_Tables_number 1 _chemical_formula_structural PdBrCl2 _chemical_formula_sum 'Pd1 Br1 Cl2' _cell_volume 108.24857051 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.51005255 1 Cl Cl1 1 1.65643777 -0.00000000 0.09872940 1 Cl Cl2 1 -0.00000000 0.00000000 6.97329666 1 Pd Pd3 1 -0.00000000 3.08349925 0.01468393 1 [/CIF]
BrCl2Pd
Imm2
44
orthorhombic
mm2
3,945.922446
false
[CIF] data_Ce2NdBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48447941 _cell_length_b 5.48447941 _cell_length_c 5.48447941 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2NdBe _chemical_formula_sum 'Ce2 Nd1 Be1' _cell_volume 116.65174315 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ce Ce1 1 1.93905629 1.93905629 1.93905629 1 Ce Ce2 1 5.81716887 5.81716887 5.81716887 1 Nd Nd3 1 3.87811258 3.87811258 3.87811258 1 [/CIF]
BeCe2Nd
Fm-3m
225
cubic
m-3m
6,170.681385
false
[CIF] data_MnGeAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48368628 _cell_length_b 3.48368628 _cell_length_c 5.79507841 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnGeAu2 _chemical_formula_sum 'Mn1 Ge1 Au2' _cell_volume 70.32947780 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74184314 1.74184314 1.39229274 1 Au Au1 1 1.74184314 1.74184314 4.40278567 1 Ge Ge2 1 0.00000000 0.00000000 2.89753921 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2GeMn
P4/mmm
123
tetragonal
4/mmm
12,313.324655
false
[CIF] data_Ta3Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91074965 _cell_length_b 5.91074965 _cell_length_c 5.91074965 _cell_angle_alpha 151.63233233 _cell_angle_beta 58.61538142 _cell_angle_gamma 129.85624927 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Nb _chemical_formula_sum 'Ta3 Nb1' _cell_volume 74.79054810 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 1.44833371 2.58580852 0.83407933 1 Ta Ta2 1 -0.00000000 5.15419483 0.00166368 1 Ta Ta3 1 0.00000000 2.56838631 3.33878820 1 [/CIF]
NbTa3
Imm2
44
orthorhombic
mm2
14,115.256161
false
[CIF] data_Cs3GeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.77235953 _cell_length_b 6.77235953 _cell_length_c 6.77235953 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3GeBi _chemical_formula_sum 'Cs3 Ge1 Bi1' _cell_volume 310.61327839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 0.00000000 3.38617977 0.00000000 1 Cs Cs1 1 0.00000000 0.00000000 3.38617977 1 Cs Cs2 1 3.38617977 0.00000000 0.00000000 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 Bi Bi4 1 3.38617977 3.38617977 3.38617977 1 [/CIF]
BiCs3Ge
Pm-3m
221
cubic
m-3m
3,637.081348
false
[CIF] data_AlAg7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83025624 _cell_length_b 5.83025624 _cell_length_c 5.83025624 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlAg7 _chemical_formula_sum 'Al1 Ag7' _cell_volume 140.13542288 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.06130686 4.12261372 2.06130686 1 Ag Ag1 1 4.12261372 2.06130686 2.06130686 1 Ag Ag2 1 2.06130686 2.06130686 0.00000000 1 Ag Ag3 1 2.06130686 0.00000000 2.06130686 1 Ag Ag4 1 0.00000000 2.06130686 2.06130686 1 Ag Ag5 1 2.06130686 2.06130686 4.12261372 1 Ag Ag6 1 4.12261372 4.12261372 4.12261372 1 Al Al7 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag7Al
Fm-3m
225
cubic
m-3m
9,267.031798
false
[CIF] data_AsPdSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61012104 _cell_length_b 3.61012104 _cell_length_c 6.77503626 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsPdSe2 _chemical_formula_sum 'As1 Pd1 Se2' _cell_volume 88.29887091 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.46429494 1 Pd Pd1 1 1.80506052 1.80506052 5.05657047 1 Se Se2 1 0.00000000 0.00000000 6.02787598 1 Se Se3 1 1.80506052 1.80506052 2.38884926 1 [/CIF]
AsPdSe2
P4mm
99
tetragonal
4mm
6,380.11715
false
[CIF] data_LiReBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24850300 _cell_length_b 4.24850300 _cell_length_c 4.24850300 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiReBr _chemical_formula_sum 'Li1 Re1 Br1' _cell_volume 54.22415456 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.00414528 3.00414528 3.00414528 1 Li Li1 1 -0.00000000 -0.00000000 0.00000000 1 Re Re2 1 4.50621792 4.50621792 4.50621792 1 [/CIF]
BrLiRe
F-43m
216
cubic
-43m
8,361.836471
false
[CIF] data_BeAgHgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46889205 _cell_length_b 4.46889205 _cell_length_c 4.46889205 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAgHgRh _chemical_formula_sum 'Be1 Ag1 Hg1 Rh1' _cell_volume 63.10802560 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.73997581 4.73997581 4.73997581 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 1.57999194 1.57999194 1.57999194 1 Rh Rh3 1 3.15998387 3.15998387 3.15998387 1 [/CIF]
AgBeHgRh
F-43m
216
cubic
-43m
11,061.201299
false
[CIF] data_TaAl3Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08727202 _cell_length_b 5.08727202 _cell_length_c 5.08727202 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAl3Te _chemical_formula_sum 'Ta1 Al3 Te1' _cell_volume 131.66031228 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Te Te0 1 0.00000000 0.00000000 0.00000000 1 Al Al1 1 0.00000000 2.54363601 0.00000000 1 Al Al2 1 0.00000000 0.00000000 2.54363601 1 Al Al3 1 2.54363601 0.00000000 0.00000000 1 Ta Ta4 1 2.54363601 2.54363601 2.54363601 1 [/CIF]
Al3TaTe
Pm-3m
221
cubic
m-3m
4,912.395347
false
[CIF] data_TlCrS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69815431 _cell_length_b 7.69815431 _cell_length_c 7.69815431 _cell_angle_alpha 26.97888826 _cell_angle_beta 26.97888826 _cell_angle_gamma 26.97888826 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCrS2 _chemical_formula_sum 'Tl1 Cr1 S2' _cell_volume 82.81313078 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 -0.00000000 0.00000000 0.00271984 1 S S1 1 -0.00000000 -0.00000000 13.55611593 1 S S2 1 0.00000000 0.00000000 8.68159621 1 Tl Tl3 1 -0.00000000 -0.00000000 18.53384906 1 [/CIF]
CrS2Tl
R3m
160
trigonal
3m
6,426.738608
false
[CIF] data_Co2HgBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24151651 _cell_length_b 3.24151651 _cell_length_c 6.36232577 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2HgBr _chemical_formula_sum 'Co2 Hg1 Br1' _cell_volume 66.85168832 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Co Co1 1 1.62075826 1.62075826 1.70734234 1 Co Co2 1 1.62075826 1.62075826 4.65498343 1 Hg Hg3 1 0.00000000 0.00000000 3.18116289 1 [/CIF]
BrCo2Hg
P4/mmm
123
tetragonal
4/mmm
9,895.190942
false
[CIF] data_BiPdAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15947204 _cell_length_b 4.15947204 _cell_length_c 4.61721075 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiPdAu2 _chemical_formula_sum 'Bi1 Pd1 Au2' _cell_volume 79.88332196 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 2.07973602 2.30860537 1 Au Au1 1 2.07973602 0.00000000 2.30860537 1 Bi Bi2 1 2.07973602 2.07973602 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2BiPd
P4/mmm
123
tetragonal
4/mmm
14,744.955796
false
[CIF] data_AcCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09179501 _cell_length_b 4.09179501 _cell_length_c 4.09179501 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcCo _chemical_formula_sum 'Ac1 Co1' _cell_volume 48.44250668 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ac Ac0 1 2.89333600 2.89333600 2.89333600 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AcCo
Fm-3m
225
cubic
m-3m
9,801.376379
false
[CIF] data_Tl2PdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72154752 _cell_length_b 4.72154752 _cell_length_c 3.35541788 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2PdRu _chemical_formula_sum 'Tl2 Pd1 Ru1' _cell_volume 74.80236765 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.36077376 2.36077376 0.00000000 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 0.00000000 2.36077376 1.67770894 1 Tl Tl3 1 2.36077376 0.00000000 1.67770894 1 [/CIF]
PdRuTl2
P4/mmm
123
tetragonal
4/mmm
13,680.291032
false
[CIF] data_Zr2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62771722 _cell_length_b 3.62771722 _cell_length_c 6.53100311 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Te _chemical_formula_sum 'Zr2 Te1' _cell_volume 74.43503129 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Te Te0 1 0.00000000 0.00000000 0.00000000 1 Zr Zr1 1 1.81385861 1.04723176 4.41309539 1 Zr Zr2 1 0.00000000 2.09446351 2.11790772 1 [/CIF]
TeZr2
P-3m1
164
trigonal
-3m
6,916.727347
false
[CIF] data_ZnTe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58844555 _cell_length_b 4.58844555 _cell_length_c 6.15419897 _cell_angle_alpha 105.82533698 _cell_angle_beta 105.82533698 _cell_angle_gamma 50.53282042 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnTe2Pd _chemical_formula_sum 'Zn1 Te2 Pd1' _cell_volume 95.36985865 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.60710085 0.00000000 1.82471007 1 Te Te1 1 8.11759679 -0.00000000 0.49865321 1 Te Te2 1 1.03139371 0.00000000 3.94169586 1 Zn Zn3 1 3.20758050 -0.00000000 2.53651240 1 [/CIF]
PdTe2Zn
Cm
8
monoclinic
m
7,434.740823
false
[CIF] data_Tl2Te3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94453865 _cell_length_b 6.94453865 _cell_length_c 10.27394532 _cell_angle_alpha 116.25471725 _cell_angle_beta 116.25471725 _cell_angle_gamma 60.10859891 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2Te3 _chemical_formula_sum 'Tl4 Te6' _cell_volume 369.22635438 _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 Tl Tl0 1 5.99328770 -0.44885416 4.70007560 1 Tl Tl1 1 8.61867175 0.44885416 0.28466547 1 Tl Tl2 1 0.25581840 -0.77322940 2.69882743 1 Tl Tl3 1 -2.36956565 0.77322940 7.11423756 1 Te Te4 1 5.65073464 -1.52846637 0.20029342 1 Te Te5 1 3.02535059 1.52846637 4.61570356 1 Te Te6 1 3.27232557 -2.61711249 3.58157539 1 Te Te7 1 0.64694152 2.61711249 7.99698552 1 Te Te8 1 3.64222149 0.15015175 2.16259759 1 Te Te9 1 1.01683743 -0.15015175 6.57800773 1 [/CIF]
Te6Tl4
Cc
9
monoclinic
m
7,119.899474
false
[CIF] data_LiCd4Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61637985 _cell_length_b 5.61637985 _cell_length_c 5.61637985 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCd4Tc _chemical_formula_sum 'Li1 Cd4 Tc1' _cell_volume 125.27211812 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.98114425 2.98114425 4.96161631 1 Cd Cd1 1 2.98114425 4.96161631 2.98114425 1 Cd Cd2 1 4.96161631 2.98114425 2.98114425 1 Cd Cd3 1 4.96161631 4.96161631 4.96161631 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 Tc Tc5 1 1.98569014 1.98569014 1.98569014 1 [/CIF]
Cd4LiTc
F-43m
216
cubic
-43m
7,363.289235
false
[CIF] data_Mo2OsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86950234 _cell_length_b 4.86950234 _cell_length_c 2.82836804 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.38413140 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo2OsAu _chemical_formula_sum 'Mo2 Os1 Au1' _cell_volume 62.86661320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.77964475 0.00000000 0.00000000 1 Mo Mo1 1 1.38982238 -1.99910156 1.41418402 1 Mo Mo2 1 1.38982238 1.99910156 1.41418402 1 Os Os3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuMo2Os
Cmmm
65
orthorhombic
mmm
15,296.604
false
[CIF] data_HfScInTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75169622 _cell_length_b 4.75169622 _cell_length_c 4.75169622 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfScInTc _chemical_formula_sum 'Hf1 Sc1 In1 Tc1' _cell_volume 75.86317358 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67997831 1.67997831 1.67997831 1 In In1 1 5.03993493 5.03993493 5.03993493 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 3.35995662 3.35995662 3.35995662 1 [/CIF]
HfInScTc
F-43m
216
cubic
-43m
9,569.044049
false
[CIF] data_VCrAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94219503 _cell_length_b 4.94219503 _cell_length_c 2.71536441 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.46495026 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCrAu2 _chemical_formula_sum 'V1 Cr1 Au2' _cell_volume 60.83886276 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.35551806 2.06613013 1.35768220 1 Au Au1 1 1.35551806 -2.06613013 1.35768220 1 Cr Cr2 1 2.71103612 0.00000000 0.00000000 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2CrV
Cmmm
65
orthorhombic
mmm
13,562.915042
false
[CIF] data_Cr2GaIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31245328 _cell_length_b 4.31245328 _cell_length_c 4.31245328 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2GaIr _chemical_formula_sum 'Cr2 Ga1 Ir1' _cell_volume 56.70981262 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52468248 1.52468248 1.52468248 1 Cr Cr1 1 4.57404744 4.57404744 4.57404744 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Ir Ir3 1 3.04936496 3.04936496 3.04936496 1 [/CIF]
Cr2GaIr
Fm-3m
225
cubic
m-3m
10,714.983629
false
[CIF] data_Sc4PBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80278648 _cell_length_b 5.80278648 _cell_length_c 5.80278648 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4PBr _chemical_formula_sum 'Sc4 P1 Br1' _cell_volume 138.16396046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.15478451 6.15478451 6.15478451 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 5.14029381 5.14029381 3.06608553 1 Sc Sc3 1 5.14029381 3.06608553 5.14029381 1 Sc Sc4 1 3.06608553 5.14029381 5.14029381 1 Sc Sc5 1 3.06608553 3.06608553 3.06608553 1 [/CIF]
BrPSc4
F-43m
216
cubic
-43m
3,493.827525
false
[CIF] data_TlMoCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21989886 _cell_length_b 5.21989886 _cell_length_c 3.74080734 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlMoCl2 _chemical_formula_sum 'Tl1 Mo1 Cl2' _cell_volume 101.92706484 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.60994943 0.00000000 1.87040367 1 Cl Cl1 1 0.00000000 2.60994943 1.87040367 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 2.60994943 2.60994943 0.00000000 1 [/CIF]
Cl2MoTl
P4/mmm
123
tetragonal
4/mmm
6,048.187173
false
[CIF] data_NaAl3Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91162782 _cell_length_b 4.91162782 _cell_length_c 4.91162782 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAl3Zn _chemical_formula_sum 'Na1 Al3 Zn1' _cell_volume 118.48854098 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Zn Zn1 1 2.45581391 2.45581391 2.45581391 1 Al Al2 1 2.45581391 0.00000000 2.45581391 1 Al Al3 1 2.45581391 2.45581391 0.00000000 1 Al Al4 1 0.00000000 2.45581391 2.45581391 1 [/CIF]
Al3NaZn
Pm-3m
221
cubic
m-3m
2,372.829884
false
[CIF] data_YbZr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62890348 _cell_length_b 4.62890348 _cell_length_c 4.62890348 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbZr _chemical_formula_sum 'Yb1 Zr1' _cell_volume 70.13250923 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Yb Yb0 1 1.63656452 1.63656452 1.63656452 1 Zr Zr1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
YbZr
F-43m
216
cubic
-43m
6,257.35409
false
[CIF] data_BiIr2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93634594 _cell_length_b 2.93634594 _cell_length_c 8.13455020 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiIr2Ru _chemical_formula_sum 'Bi1 Ir2 Ru1' _cell_volume 70.13712859 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.06727510 1 Ir Ir1 1 1.46817297 1.46817297 6.42351313 1 Ir Ir2 1 1.46817297 1.46817297 1.71103707 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiIr2Ru
P4/mmm
123
tetragonal
4/mmm
16,442.372022
false
[CIF] data_Ba2CoF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.44630891 _cell_length_b 8.44630891 _cell_length_c 8.44630891 _cell_angle_alpha 152.19159179 _cell_angle_beta 152.19159179 _cell_angle_gamma 39.73358062 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CoF6 _chemical_formula_sum 'Ba2 Co1 F6' _cell_volume 130.89340523 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.30749424 1 Ba Ba1 1 0.00000000 0.00000000 5.57976382 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 F F3 1 2.02964185 0.00000000 0.00000000 1 F F4 1 0.00000000 2.02964185 0.00000000 1 F F5 1 -0.00000000 0.00000000 1.96288630 1 F F6 1 -0.00000000 2.02964185 3.97181452 1 F F7 1 2.02964185 -0.00000000 3.97181452 1 F F8 1 -0.00000000 0.00000000 13.92437176 1 [/CIF]
Ba2CoF6
I4/mmm
139
tetragonal
4/mmm
5,678.05622
false
[CIF] data_MgCoCuMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26707633 _cell_length_b 4.26707633 _cell_length_c 4.26707633 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCoCuMo _chemical_formula_sum 'Mg1 Co1 Cu1 Mo1' _cell_volume 54.93842916 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50863931 1.50863931 1.50863931 1 Cu Cu1 1 4.52591792 4.52591792 4.52591792 1 Mg Mg2 1 -0.00000000 -0.00000000 0.00000000 1 Mo Mo3 1 3.01727861 3.01727861 3.01727861 1 [/CIF]
CoCuMgMo
F-43m
216
cubic
-43m
7,337.053955
false
[CIF] data_BaMgIrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99069803 _cell_length_b 4.99069803 _cell_length_c 4.99069803 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMgIrPd _chemical_formula_sum 'Ba1 Mg1 Ir1 Pd1' _cell_volume 87.89595339 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.29343463 5.29343463 5.29343463 1 Ir Ir1 1 3.52895642 3.52895642 3.52895642 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 1.76447821 1.76447821 1.76447821 1 [/CIF]
BaIrMgPd
F-43m
216
cubic
-43m
8,695.447585
false
[CIF] data_BiAsBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34516499 _cell_length_b 5.34516499 _cell_length_c 5.93107089 _cell_angle_alpha 100.66474633 _cell_angle_beta 100.66474633 _cell_angle_gamma 38.43403009 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiAsBr2 _chemical_formula_sum 'Bi1 As1 Br2' _cell_volume 103.29295480 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 4.46613255 -0.00000000 2.90802605 1 Br Br2 1 7.28470802 0.00000000 1.45080111 1 Br Br3 1 1.64755708 0.00000000 4.36525099 1 [/CIF]
AsBiBr2
C2/m
12
monoclinic
2/m
7,133.088512
false
[CIF] data_CaUOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77165289 _cell_length_b 4.77165289 _cell_length_c 4.77165289 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaUOs2 _chemical_formula_sum 'Ca1 U1 Os2' _cell_volume 76.82304809 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 1.68703406 1.68703406 1.68703406 1 Os Os2 1 5.06110218 5.06110218 5.06110218 1 U U3 1 3.37406812 3.37406812 3.37406812 1 [/CIF]
CaOs2U
Fm-3m
225
cubic
m-3m
14,234.999902
false
[CIF] data_ScCd2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33177871 _cell_length_b 5.33177871 _cell_length_c 4.95088345 _cell_angle_alpha 112.76861822 _cell_angle_beta 112.76861822 _cell_angle_gamma 35.26581628 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCd2Co _chemical_formula_sum 'Sc1 Cd2 Co1' _cell_volume 74.25889432 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.14529855 -0.00000000 4.47037679 1 Cd Cd1 1 0.74601334 -0.00000000 3.38581413 1 Co Co2 1 4.09408774 -0.00000000 2.07338343 1 Sc Sc3 1 7.39471440 -0.00000000 1.38112838 1 [/CIF]
Cd2CoSc
Cm
8
monoclinic
m
7,350.468113
false
[CIF] data_AuCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45732003 _cell_length_b 10.56567509 _cell_length_c 5.94570957 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AuCl3 _chemical_formula_sum 'Au4 Cl12' _cell_volume 405.65165642 _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 Au Au0 1 5.70238099 7.92425632 3.33808462 1 Au Au1 1 3.98359905 2.64141877 0.36522984 1 Au Au2 1 2.47372098 7.92425632 5.58047973 1 Au Au3 1 0.75493904 2.64141877 2.60762495 1 Cl Cl4 1 0.49616362 7.92425632 1.13561263 1 Cl Cl5 1 2.73249640 2.64141877 4.10846742 1 Cl Cl6 1 3.72482363 7.92425632 1.83724215 1 Cl Cl7 1 5.96115641 2.64141877 4.81009694 1 Cl Cl8 1 1.00552987 9.55364518 4.20186221 1 Cl Cl9 1 2.22313014 1.01202991 1.22900742 1 Cl Cl10 1 4.23418989 6.29486746 4.71670215 1 Cl Cl11 1 5.45179016 4.27080763 1.74384736 1 Cl Cl12 1 5.45179016 1.01202991 1.74384736 1 Cl Cl13 1 4.23418989 9.55364518 4.71670215 1 Cl Cl14 1 2.22313014 4.27080763 1.22900742 1 Cl Cl15 1 1.00552987 6.29486746 4.20186221 1 [/CIF]
Au4Cl12
Pnma
62
orthorhombic
mmm
4,966.664864
false
[CIF] data_LiInGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24644122 _cell_length_b 4.24644122 _cell_length_c 4.23732800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiInGa2 _chemical_formula_sum 'Li1 In1 Ga2' _cell_volume 76.40861306 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.12322061 2.11866400 1 Ga Ga1 1 2.12322061 0.00000000 2.11866400 1 In In2 1 2.12322061 2.12322061 0.00000000 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2InLi
P4/mmm
123
tetragonal
4/mmm
5,676.59966
false
[CIF] data_EuAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81227123 _cell_length_b 3.81227123 _cell_length_c 4.41116494 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuAg _chemical_formula_sum 'Eu1 Ag1' _cell_volume 55.52026268 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Eu Eu1 1 1.90613560 1.10050792 2.20558247 1 [/CIF]
AgEu
P-6m2
187
hexagonal
-6m2
7,771.255165
false
[CIF] data_Cd5Pb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.04082150 _cell_length_b 9.04082150 _cell_length_c 9.04082150 _cell_angle_alpha 96.39027536 _cell_angle_beta 96.39027536 _cell_angle_gamma 141.02308681 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd5Pb3 _chemical_formula_sum 'Cd10 Pb6' _cell_volume 438.18431206 _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 Cd Cd0 1 6.02657302 -0.00000000 1.50808559 1 Cd Cd1 1 -0.00000000 6.02657302 1.50808559 1 Cd Cd2 1 0.67096477 8.94764489 0.00000000 1 Cd Cd3 1 5.35560825 -2.92107187 3.01617119 1 Cd Cd4 1 0.67096477 3.10550115 3.01617119 1 Cd Cd5 1 5.35560825 2.92107187 -0.00000000 1 Cd Cd6 1 2.92107187 6.69753779 -0.00000000 1 Cd Cd7 1 3.10550115 -0.67096477 3.01617119 1 Cd Cd8 1 3.10550115 0.67096477 0.00000000 1 Cd Cd9 1 2.92107187 5.35560825 3.01617119 1 Pb Pb10 1 0.00000000 0.00000000 4.52425678 1 Pb Pb11 1 0.00000000 -0.00000000 1.50808559 1 Pb Pb12 1 2.34918281 3.67739021 -0.00000000 1 Pb Pb13 1 3.67739021 2.34918281 3.01617119 1 Pb Pb14 1 8.37575584 2.34918281 -0.00000000 1 Pb Pb15 1 -2.34918281 3.67739021 3.01617119 1 [/CIF]
Cd10Pb6
I4/mcm
140
tetragonal
4/mmm
8,971.138794
false
[CIF] data_ScZn4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06913433 _cell_length_b 5.06913433 _cell_length_c 5.06913433 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScZn4W _chemical_formula_sum 'Sc1 Zn4 W1' _cell_volume 92.10567770 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 1.79220963 1.79220963 1.79220963 1 Zn Zn2 1 4.47648673 2.69235179 2.69235179 1 Zn Zn3 1 2.69235179 2.69235179 4.47648673 1 Zn Zn4 1 2.69235179 4.47648673 2.69235179 1 Zn Zn5 1 4.47648673 4.47648673 4.47648673 1 [/CIF]
ScWZn4
F-43m
216
cubic
-43m
8,839.723535
false
[CIF] data_LiReNiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24397657 _cell_length_b 4.24397657 _cell_length_c 4.24397657 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiReNiPt _chemical_formula_sum 'Li1 Re1 Ni1 Pt1' _cell_volume 54.05102500 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 1.50047231 1.50047231 1.50047231 1 Pt Pt2 1 4.50141692 4.50141692 4.50141692 1 Re Re3 1 3.00094461 3.00094461 3.00094461 1 [/CIF]
LiNiPtRe
F-43m
216
cubic
-43m
13,730.305513
false
[CIF] data_Mg3Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34118844 _cell_length_b 4.34118844 _cell_length_c 4.34118844 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3Cr _chemical_formula_sum 'Mg3 Cr1' _cell_volume 81.81367733 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Mg Mg1 1 0.00000000 2.17059422 2.17059422 1 Mg Mg2 1 2.17059422 0.00000000 2.17059422 1 Mg Mg3 1 2.17059422 2.17059422 0.00000000 1 [/CIF]
CrMg3
Pm-3m
221
cubic
m-3m
2,535.269996
false
[CIF] data_Na2CaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73105282 _cell_length_b 3.67905075 _cell_length_c 8.81651620 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.61468658 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CaAu _chemical_formula_sum 'Na2 Ca1 Au1' _cell_volume 121.01499634 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.04475809 1.83952538 4.51525081 1 Ca Ca1 1 1.82531561 0.00000000 6.03729524 1 Na Na2 1 3.72459369 1.83952538 0.03150365 1 Na Na3 1 1.81507773 0.00000000 2.63996354 1 [/CIF]
AuCaNa2
Pm
6
monoclinic
m
3,883.589651
false
[CIF] data_GeTe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54989575 _cell_length_b 4.22828571 _cell_length_c 5.68965014 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.87123934 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeTe2Br _chemical_formula_sum 'Ge1 Te2 Br1' _cell_volume 128.42661155 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 2.77494788 0.00000000 0.00000000 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 0.39223471 2.11414285 2.05123534 1 Te Te3 1 3.60167589 2.11414285 3.42151798 1 [/CIF]
BrGeTe2
P2/m
10
monoclinic
2/m
5,272.07588
false
[CIF] data_YHf2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67407567 _cell_length_b 5.67407567 _cell_length_c 5.67407567 _cell_angle_alpha 137.38242341 _cell_angle_beta 137.38242341 _cell_angle_gamma 61.85017462 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHf2Os _chemical_formula_sum 'Y1 Hf2 Os1' _cell_volume 82.77657640 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 2.06192581 2.43372444 1 Hf Hf1 1 0.00000000 0.00000000 4.86744888 1 Os Os2 1 2.06192581 -0.00000000 2.43372444 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2OsY
I-4m2
119
tetragonal
-42m
12,760.798595
false
[CIF] data_ErSc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36989803 _cell_length_b 3.36989803 _cell_length_c 4.74361700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErSc _chemical_formula_sum 'Er1 Sc1' _cell_volume 53.86952382 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Er Er0 1 1.68494902 1.68494902 2.37180850 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ErSc
P4/mmm
123
tetragonal
4/mmm
6,541.567975
false
[CIF] data_SnRh2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87782887 _cell_length_b 4.64131214 _cell_length_c 4.83811735 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.43723345 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnRh2W _chemical_formula_sum 'Sn1 Rh2 W1' _cell_volume 64.60192953 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 2.58116288 0.00000000 0.24363691 1 Rh Rh1 1 2.38681661 2.32065607 3.36503776 1 Sn Sn2 1 0.98812659 0.00000000 2.74064545 1 W W3 1 1.05644287 2.32065607 0.90557286 1 [/CIF]
Rh2SnW
Pm
6
monoclinic
m
13,066.998255
false
[CIF] data_La5Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46425782 _cell_length_b 6.46425782 _cell_length_c 5.96228727 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La5Cr _chemical_formula_sum 'La5 Cr1' _cell_volume 215.76493548 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 1.61606446 2.79910574 2.98114364 1 La La2 1 3.23212891 1.86607050 0.00000000 1 La La3 1 -1.61606446 2.79910574 2.98114364 1 La La4 1 3.23212891 0.00000000 2.98114364 1 La La5 1 0.00000000 3.73214099 0.00000000 1 [/CIF]
CrLa5
P6/mmm
191
hexagonal
6/mmm
5,745.286416
false
[CIF] data_LaBeBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03857116 _cell_length_b 4.03857116 _cell_length_c 6.66132638 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBeBi2 _chemical_formula_sum 'La1 Be1 Bi2' _cell_volume 108.64661328 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 2.01928558 2.01928558 1.49322777 1 Bi Bi2 1 2.01928558 2.01928558 5.16809861 1 La La3 1 0.00000000 0.00000000 3.33066319 1 [/CIF]
BeBi2La
P4/mmm
123
tetragonal
4/mmm
8,648.847448
false
[CIF] data_Mn2HgB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71623856 _cell_length_b 2.71623856 _cell_length_c 7.16062816 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.38899790 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2HgB _chemical_formula_sum 'Mn2 Hg1 B1' _cell_volume 51.60052622 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 0.00000000 0.00000000 3.58031408 1 Mn Mn2 1 1.70220867 0.00000000 5.90510532 1 Mn Mn3 1 1.70220867 0.00000000 1.25552284 1 [/CIF]
BHgMn2
Cmmm
65
orthorhombic
mmm
10,338.909275
false
[CIF] data_Li2ScAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57418133 _cell_length_b 4.57418133 _cell_length_c 4.57418133 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ScAl _chemical_formula_sum 'Li2 Sc1 Al1' _cell_volume 67.67451224 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 1.61721732 1.61721732 1.61721732 1 Li Li2 1 4.85165196 4.85165196 4.85165196 1 Sc Sc3 1 3.23443464 3.23443464 3.23443464 1 [/CIF]
AlLi2Sc
Fm-3m
225
cubic
m-3m
2,105.763982
false
[CIF] data_Tb2CoGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.09665839 _cell_length_b 8.09665839 _cell_length_c 8.84956824 _cell_angle_alpha 115.18668717 _cell_angle_beta 115.18668717 _cell_angle_gamma 28.74586797 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2CoGe2 _chemical_formula_sum 'Tb4 Co2 Ge4' _cell_volume 250.63855894 _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 Co Co0 1 7.66501198 0.00000000 2.87476664 1 Co Co1 1 4.13367462 -0.00000000 5.07507379 1 Ge Ge2 1 11.76189286 0.00000000 3.76216964 1 Ge Ge3 1 5.21381610 0.00000000 2.79970846 1 Ge Ge4 1 6.58487051 -0.00000000 5.15013197 1 Ge Ge5 1 0.03679375 0.00000000 4.18767078 1 Tb Tb6 1 2.19590064 0.00000000 2.41101532 1 Tb Tb7 1 14.46197072 -0.00000000 1.29813839 1 Tb Tb8 1 -2.66328412 -0.00000000 6.65170204 1 Tb Tb9 1 9.60278597 0.00000000 5.53882510 1 [/CIF]
Co2Ge4Tb4
C2/m
12
monoclinic
2/m
6,917.590786
false
[CIF] data_KNaCdCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33535375 _cell_length_b 5.33535375 _cell_length_c 5.33535375 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNaCdCu _chemical_formula_sum 'K1 Na1 Cd1 Cu1' _cell_volume 107.39267559 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.77266482 3.77266482 3.77266482 1 Cu Cu1 1 1.88633241 1.88633241 1.88633241 1 K K2 1 5.65899723 5.65899723 5.65899723 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdCuKNa
F-43m
216
cubic
-43m
3,680.727154
false
[CIF] data_SrHfP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.52819189 _cell_length_b 6.52819189 _cell_length_c 6.52819189 _cell_angle_alpha 147.99341202 _cell_angle_beta 147.99341202 _cell_angle_gamma 45.89509123 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHfP _chemical_formula_sum 'Sr1 Hf1 P1' _cell_volume 77.89034768 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.35770716 1 P P1 1 0.00000000 -0.00000000 4.68621609 1 Sr Sr2 1 0.00000000 -0.00000000 8.00233687 1 [/CIF]
HfPSr
I4mm
107
tetragonal
4mm
6,333.508677
false
[CIF] data_HfZnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61647862 _cell_length_b 4.61647862 _cell_length_c 4.61647862 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZnHg _chemical_formula_sum 'Hf1 Zn1 Hg1' _cell_volume 69.56927684 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 4.89651501 4.89651501 4.89651501 1 Hg Hg1 1 3.26434334 3.26434334 3.26434334 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfHgZn
F-43m
216
cubic
-43m
10,608.751838
false
[CIF] data_CuTeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35997908 _cell_length_b 4.35997908 _cell_length_c 4.35997908 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuTeMo _chemical_formula_sum 'Cu1 Te1 Mo1' _cell_volume 58.60547862 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 3.08297077 3.08297077 3.08297077 1 Te Te2 1 1.54148539 1.54148539 1.54148539 1 [/CIF]
CuMoTe
F-43m
216
cubic
-43m
8,134.917425
false
[CIF] data_NaTiPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45689945 _cell_length_b 3.45689945 _cell_length_c 6.36861501 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTiPt2 _chemical_formula_sum 'Na1 Ti1 Pt2' _cell_volume 76.10592891 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.94206505 1 Pt Pt1 1 1.72844972 1.72844972 0.19440586 1 Pt Pt2 1 0.00000000 0.00000000 1.78827653 1 Ti Ti3 1 1.72844972 1.72844972 2.62817508 1 [/CIF]
NaPt2Ti
P4mm
99
tetragonal
4mm
10,059.001329
false
[CIF] data_Ca2FeNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95431898 _cell_length_b 4.95431898 _cell_length_c 4.95431898 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2FeNi _chemical_formula_sum 'Ca2 Fe1 Ni1' _cell_volume 85.98781193 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.25484882 5.25484882 5.25484882 1 Ca Ca1 1 1.75161627 1.75161627 1.75161627 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 3.50323255 3.50323255 3.50323255 1 [/CIF]
Ca2FeNi
Fm-3m
225
cubic
m-3m
3,759.807931
false
[CIF] data_LiYRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32011684 _cell_length_b 4.32011684 _cell_length_c 4.32011684 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiYRh _chemical_formula_sum 'Li1 Y1 Rh1' _cell_volume 57.01268297 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 4.58217586 4.58217586 4.58217586 1 Y Y2 1 1.52739195 1.52739195 1.52739196 1 [/CIF]
LiRhY
F-43m
216
cubic
-43m
5,788.817936
false
[CIF] data_NbZn2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.79305218 _cell_length_b 8.79305218 _cell_length_c 8.79305218 _cell_angle_alpha 19.24813308 _cell_angle_beta 19.24813308 _cell_angle_gamma 19.24813308 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbZn2P _chemical_formula_sum 'Nb1 Zn2 P1' _cell_volume 64.58716183 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.94147800 1 P P1 1 -0.00000000 -0.00000000 -0.00000000 1 Zn Zn2 1 0.00000000 -0.00000000 6.60335188 1 Zn Zn3 1 -0.00000000 -0.00000000 19.27960412 1 [/CIF]
NbPZn2
R-3m
166
trigonal
-3m
6,546.810424
false
[CIF] data_YBeRePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77874504 _cell_length_b 4.77874504 _cell_length_c 4.77874504 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBeRePb _chemical_formula_sum 'Y1 Be1 Re1 Pb1' _cell_volume 77.16610537 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 5.06862453 5.06862453 5.06862453 1 Re Re2 1 3.37908302 3.37908302 3.37908302 1 Y Y3 1 1.68954151 1.68954151 1.68954151 1 [/CIF]
BePbReY
F-43m
216
cubic
-43m
10,572.833838
false
[CIF] data_NaCrBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11823472 _cell_length_b 4.11823472 _cell_length_c 5.93096472 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCrBr2 _chemical_formula_sum 'Na1 Cr1 Br2' _cell_volume 100.58831476 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 2.05911736 2.05911736 5.16136624 1 Br Br1 1 0.00000000 0.00000000 2.18214331 1 Cr Cr2 1 2.05911736 2.05911736 2.34054841 1 Na Na3 1 0.00000000 0.00000000 5.14335390 1 [/CIF]
Br2CrNa
P4mm
99
tetragonal
4mm
3,876.040606
false
[CIF] data_ZrOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19849493 _cell_length_b 5.19849493 _cell_length_c 5.19849493 _cell_angle_alpha 148.29583579 _cell_angle_beta 135.57211932 _cell_angle_gamma 55.60430203 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrOs2 _chemical_formula_sum 'Zr1 Os2' _cell_volume 51.33320318 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000000 0.00000000 6.39092817 1 Os Os1 1 0.00000000 0.00000000 2.80586921 1 Zr Zr2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Os4Zr2
Immm
71
orthorhombic
mmm
15,258.149903
false
[CIF] data_MgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35203729 _cell_length_b 3.35203729 _cell_length_c 3.86437894 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCd _chemical_formula_sum 'Mg1 Cd1' _cell_volume 43.42075691 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67601865 1.67601865 1.93218947 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2Mg2
P4/mmm
123
tetragonal
4/mmm
5,228.427028
false
[CIF] data_ZrNbTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48915202 _cell_length_b 3.48915202 _cell_length_c 7.04295032 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNbTe2 _chemical_formula_sum 'Zr1 Nb1 Te2' _cell_volume 85.74215774 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.52147516 1 Te Te1 1 1.74457601 1.74457601 5.21552734 1 Te Te2 1 1.74457601 1.74457601 1.82742298 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbTe2Zr
P4/mmm
123
tetragonal
4/mmm
8,508.361329
false
[CIF] data_Ca2TlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.84934454 _cell_length_b 8.84934454 _cell_length_c 8.84934454 _cell_angle_alpha 26.20570112 _cell_angle_beta 26.20570112 _cell_angle_gamma 26.20570112 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2TlPt _chemical_formula_sum 'Ca2 Tl1 Pt1' _cell_volume 119.07263788 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.87486491 1 Ca Ca1 1 0.00000000 -0.00000000 18.74744391 1 Pt Pt2 1 0.00000000 -0.00000000 -0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 12.81115441 1 [/CIF]
Ca2PtTl
R-3m
166
trigonal
-3m
6,688.633434
false
[CIF] data_BaHf2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34410494 _cell_length_b 5.34410494 _cell_length_c 6.81970354 _cell_angle_alpha 98.67565160 _cell_angle_beta 98.67565160 _cell_angle_gamma 35.63510921 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHf2Zn _chemical_formula_sum 'Ba1 Hf2 Zn1' _cell_volume 112.04202902 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.47756679 0.00000000 1.77710276 1 Hf Hf1 1 8.99631452 0.00000000 6.03215615 1 Hf Hf2 1 1.62757549 0.00000000 5.16257257 1 Zn Zn3 1 4.63614814 0.00000000 3.86207085 1 [/CIF]
BaHf2Zn
Cm
8
monoclinic
m
8,294.941966
false
[CIF] data_InCuMoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51360702 _cell_length_b 4.51360702 _cell_length_c 4.51360702 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCuMoPd _chemical_formula_sum 'In1 Cu1 Mo1 Pd1' _cell_volume 65.02138775 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.19160213 3.19160213 3.19160213 1 Mo Mo2 1 1.59580107 1.59580107 1.59580107 1 Pd Pd3 1 4.78740320 4.78740320 4.78740320 1 [/CIF]
CuInMoPd
F-43m
216
cubic
-43m
9,723.57417
false
[CIF] data_CdGeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93799958 _cell_length_b 4.61009471 _cell_length_c 6.45855403 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.08908409 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGeAs2 _chemical_formula_sum 'Cd1 Ge1 As2' _cell_volume 86.80887776 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66967113 2.30504736 1.30678357 1 As As1 1 0.47126269 2.30504736 5.10239784 1 Cd Cd2 1 1.07046691 0.00000000 3.20459070 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2CdGe
P2/m
10
monoclinic
2/m
6,406.083302
false
[CIF] data_BeNiIrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14316676 _cell_length_b 4.14316676 _cell_length_c 4.14316676 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNiIrOs _chemical_formula_sum 'Be1 Ni1 Ir1 Os1' _cell_volume 50.29007030 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 2.92966131 2.92966131 2.92966131 1 Ni Ni2 1 1.46483066 1.46483066 1.46483066 1 Os Os3 1 4.39449197 4.39449197 4.39449197 1 [/CIF]
BeIrNiOs
F-43m
216
cubic
-43m
14,863.688675
false
[CIF] data_YB2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02490483 _cell_length_b 6.02490483 _cell_length_c 6.02490483 _cell_angle_alpha 32.64886381 _cell_angle_beta 32.64886381 _cell_angle_gamma 32.64886381 _symmetry_Int_Tables_number 1 _chemical_formula_structural YB2W _chemical_formula_sum 'Y1 B2 W1' _cell_volume 56.61324336 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.99463141 1 B B1 1 0.00000000 0.00000000 13.10161930 1 W W2 1 0.00000000 -0.00000000 8.54812536 1 Y Y3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
B2WY
R-3m
166
trigonal
-3m
8,655.674897
false
[CIF] data_Hf2VPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46252019 _cell_length_b 5.46252019 _cell_length_c 5.46252019 _cell_angle_alpha 138.65988943 _cell_angle_beta 129.70235057 _cell_angle_gamma 67.07030726 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2VPb _chemical_formula_sum 'Hf2 V1 Pb1' _cell_volume 81.52407257 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 2.32141240 2.40067466 1 Hf Hf1 1 1.92819261 0.00000000 2.15259280 1 Pb Pb2 1 -0.00000000 0.00000000 4.55326746 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2PbV
Immm
71
orthorhombic
mmm
12,529.222955
false
[CIF] data_SnPt2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37038585 _cell_length_b 3.88595079 _cell_length_c 5.53569596 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnPt2Au _chemical_formula_sum 'Sn1 Pt2 Au1' _cell_volume 72.50186003 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68519292 1.94297540 4.29933303 1 Pt Pt1 1 0.00000000 0.00000000 5.41567753 1 Pt Pt2 1 1.68519292 1.94297540 1.49386092 1 Sn Sn3 1 0.00000000 0.00000000 2.63036842 1 [/CIF]
AuPt2Sn
Pmm2
25
orthorhombic
mm2
16,166.240167
false
[CIF] data_CaAlCuTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61445213 _cell_length_b 4.61445213 _cell_length_c 4.61445213 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAlCuTc _chemical_formula_sum 'Ca1 Al1 Cu1 Tc1' _cell_volume 69.47770049 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Ca Ca1 1 4.89436559 4.89436559 4.89436559 1 Cu Cu2 1 1.63145519 1.63145519 1.63145519 1 Tc Tc3 1 3.26291039 3.26291039 3.26291039 1 [/CIF]
AlCaCuTc
F-43m
216
cubic
-43m
5,485.403309
false
[CIF] data_CaZrBe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47840677 _cell_length_b 4.47840677 _cell_length_c 4.47840677 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZrBe3 _chemical_formula_sum 'Ca1 Zr1 Be3' _cell_volume 89.81949582 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.23920339 0.00000000 1 Be Be1 1 0.00000000 0.00000000 2.23920339 1 Be Be2 1 2.23920339 0.00000000 0.00000000 1 Ca Ca3 1 0.00000000 0.00000000 0.00000000 1 Zr Zr4 1 2.23920339 2.23920339 2.23920339 1 [/CIF]
Be3CaZr
Pm-3m
221
cubic
m-3m
2,927.285875
false
[CIF] data_Mn4ReOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66176529 _cell_length_b 4.66176529 _cell_length_c 4.66176529 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn4ReOs _chemical_formula_sum 'Mn4 Re1 Os1' _cell_volume 71.63680604 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 4.11507362 4.11507362 2.47765808 1 Mn Mn1 1 4.11507362 2.47765808 4.11507362 1 Mn Mn2 1 2.47765808 4.11507362 4.11507362 1 Mn Mn3 1 2.47765808 2.47765808 2.47765808 1 Os Os4 1 4.94454877 4.94454877 4.94454877 1 Re Re5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mn4OsRe
F-43m
216
cubic
-43m
13,819.647736
false
[CIF] data_LiTiMnRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23613299 _cell_length_b 4.23613299 _cell_length_c 4.23613299 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiMnRe _chemical_formula_sum 'Li1 Ti1 Mn1 Re1' _cell_volume 53.75189240 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 4.49309754 4.49309754 4.49309754 1 Re Re2 1 2.99539836 2.99539836 2.99539836 1 Ti Ti3 1 1.49769918 1.49769918 1.49769918 1 [/CIF]
LiMnReTi
F-43m
216
cubic
-43m
9,142.777513
false
[CIF] data_ZnCo2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81083865 _cell_length_b 3.81083865 _cell_length_c 3.81083865 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCo2B _chemical_formula_sum 'Zn1 Co2 B1' _cell_volume 39.13331919 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 4.04200478 4.04200478 4.04200477 1 Co Co2 1 1.34733492 1.34733492 1.34733492 1 Zn Zn3 1 2.69466985 2.69466985 2.69466985 1 [/CIF]
BCo2Zn
Fm-3m
225
cubic
m-3m
8,234.412106
false
[CIF] data_RbBaRe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46272428 _cell_length_b 5.46272428 _cell_length_c 5.46272428 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbBaRe3 _chemical_formula_sum 'Rb1 Ba1 Re3' _cell_volume 163.01510302 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 2.73136214 0.00000000 2.73136214 1 Re Re1 1 2.73136214 2.73136214 0.00000000 1 Re Re2 1 0.00000000 2.73136214 2.73136214 1 Ba Ba3 1 2.73136214 2.73136214 2.73136214 1 Rb Rb4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaRbRe3
Pm-3m
221
cubic
m-3m
7,959.823594
false
[CIF] data_BaZrGaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27624001 _cell_length_b 5.27624001 _cell_length_c 5.27624001 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZrGaAu _chemical_formula_sum 'Ba1 Zr1 Ga1 Au1' _cell_volume 103.86246621 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.73086509 3.73086509 3.73086509 1 Ba Ba1 1 1.86543254 1.86543255 1.86543255 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 5.59629763 5.59629763 5.59629763 1 [/CIF]
AuBaGaZr
F-43m
216
cubic
-43m
7,917.839256
false
[CIF] data_BaSrZrTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65687345 _cell_length_b 5.65687345 _cell_length_c 5.65687345 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrZrTi _chemical_formula_sum 'Ba1 Sr1 Zr1 Ti1' _cell_volume 128.00130368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.00001358 4.00001358 4.00001358 1 Sr Sr1 1 2.00000679 2.00000679 2.00000679 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 6.00002037 6.00002037 6.00002037 1 [/CIF]
BaSrTiZr
F-43m
216
cubic
-43m
4,722.602843
false
[CIF] data_Ga2HgBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38509301 _cell_length_b 6.38509301 _cell_length_c 6.38509301 _cell_angle_alpha 140.43785256 _cell_angle_beta 140.43785256 _cell_angle_gamma 57.18908165 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2HgBr _chemical_formula_sum 'Ga2 Hg1 Br1' _cell_volume 104.71300072 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.60629416 1 Ga Ga1 1 0.00000000 2.16088854 2.80314708 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Hg Hg3 1 2.16088854 -0.00000000 2.80314708 1 [/CIF]
BrGa2Hg
I-4m2
119
tetragonal
-42m
6,659.409728
false
[CIF] data_LaWCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37577245 _cell_length_b 4.65602062 _cell_length_c 5.70700420 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaWCl2 _chemical_formula_sum 'La1 W1 Cl2' _cell_volume 89.70078665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 1.68788623 0.00000000 2.85350210 1 La La2 1 1.68788623 2.32801031 0.00000000 1 W W3 1 0.00000000 2.32801031 2.85350210 1 [/CIF]
Cl2LaW
Pmmm
47
orthorhombic
mmm
7,287.267693
false
[CIF] data_MgCdMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57882423 _cell_length_b 5.57882423 _cell_length_c 5.57882423 _cell_angle_alpha 150.59480363 _cell_angle_beta 139.58682155 _cell_angle_gamma 50.76086266 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCdMo _chemical_formula_sum 'Mg1 Cd1 Mo1' _cell_volume 55.00879757 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.01793060 1 Mg Mg1 1 0.00000000 0.00000000 6.73693409 1 Mo Mo2 1 0.00000000 -0.00000000 3.32586693 1 [/CIF]
CdMgMo
Imm2
44
orthorhombic
mm2
7,023.741746
false
[CIF] data_TaSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.18010400 _cell_length_b 9.80527270 _cell_length_c 11.50154172 _cell_angle_alpha 72.27838876 _cell_angle_beta 74.41429279 _cell_angle_gamma 83.40173590 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSe2 _chemical_formula_sum 'Ta13 Se26' _cell_volume 949.28425400 _cell_formula_units_Z 13 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 2.99128643 7.19976894 0.73463019 1 Ta Ta2 1 10.40574157 5.70742506 9.88171981 1 Ta Ta3 1 7.32490411 1.35934646 2.27421326 1 Ta Ta4 1 6.07212389 11.54784754 8.34213674 1 Ta Ta5 1 10.30830194 8.55177477 3.00405548 1 Ta Ta6 1 3.08872606 4.35541923 7.61229452 1 Ta Ta7 1 3.05416125 5.88919882 3.82533631 1 Ta Ta8 1 10.34286675 7.01799518 6.79101369 1 Ta Ta9 1 5.35570587 3.99246037 1.61048968 1 Ta Ta10 1 8.04132213 8.91473363 9.00586032 1 Ta Ta11 1 8.42482564 9.89046569 5.44428722 1 Ta Ta12 1 4.97220236 3.01672831 5.17206278 1 Se Se13 1 9.61144953 7.32391198 0.87102905 1 Se Se14 1 3.78557847 5.58328202 9.74532095 1 Se Se15 1 6.53071790 0.25171828 0.09847726 1 Se Se16 1 6.86631010 12.65547572 10.51787274 1 Se Se17 1 3.51920649 11.73203969 8.32928034 1 Se Se18 1 9.87782151 1.17515431 2.28706966 1 Se Se19 1 7.68183872 8.78557107 3.29877597 1 Se Se20 1 5.71518928 4.12162293 7.31757403 1 Se Se21 1 9.64893904 4.70893290 7.53875507 1 Se Se22 1 3.74808896 8.19826110 3.07759493 1 Se Se23 1 5.52266468 9.06564909 9.11083479 1 Se Se24 1 7.87436332 3.84154491 1.50551521 1 Se Se25 1 9.77457744 6.21106910 4.23885376 1 Se Se26 1 3.62245056 6.69612490 6.37749624 1 Se Se27 1 7.78845604 6.35740532 9.93366561 1 Se Se28 1 5.60857196 6.54978868 0.68268439 1 Se Se29 1 5.77089161 10.38112281 5.92466644 1 Se Se30 1 7.62613639 2.52607119 4.69168356 1 Se Se31 1 2.67832922 4.66850763 1.69884956 1 Se Se32 1 10.71869878 8.23868637 8.91750044 1 Se Se33 1 4.67577406 1.86038251 2.68398314 1 Se Se34 1 8.72125394 11.04681149 7.93236686 1 Se Se35 1 2.53638204 3.47741213 5.08248202 1 Se Se36 1 10.86064596 9.42978187 5.53386798 1 Se Se37 1 7.76465863 7.64185718 6.69300354 1 Se Se38 1 5.63236937 5.26533682 3.92334646 1 [/CIF]
Se26Ta13
P-1
2
triclinic
-1
7,705.956946
false
[CIF] data_LiLaCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71430430 _cell_length_b 4.71430430 _cell_length_c 4.71430430 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaCl _chemical_formula_sum 'Li1 La1 Cl1' _cell_volume 74.08628852 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.00027481 5.00027481 5.00027481 1 La La1 1 1.66675827 1.66675827 1.66675827 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ClLaLi
F-43m
216
cubic
-43m
4,063.570449
false
[CIF] data_ZrNbIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61458914 _cell_length_b 4.61458914 _cell_length_c 4.61458914 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNbIr2 _chemical_formula_sum 'Zr1 Nb1 Ir2' _cell_volume 69.48388932 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.89451091 4.89451091 4.89451091 1 Ir Ir1 1 1.63150364 1.63150364 1.63150363 1 Nb Nb2 1 3.26300727 3.26300727 3.26300727 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir2NbZr
Fm-3m
225
cubic
m-3m
13,587.658579
false
[CIF] data_Y2SiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81289223 _cell_length_b 4.81289223 _cell_length_c 3.39909641 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2SiB _chemical_formula_sum 'Y2 Si1 B1' _cell_volume 78.73643697 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 2.40644612 2.40644612 0.00000000 1 Y Y2 1 2.40644612 0.00000000 1.69954821 1 Y Y3 1 0.00000000 2.40644612 1.69954821 1 [/CIF]
BSiY2
P4/mmm
123
tetragonal
4/mmm
4,570.721877
false