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_Na2ReAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92810479 _cell_length_b 3.92810479 _cell_length_c 4.98874523 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2ReAu _chemical_formula_sum 'Na2 Re1 Au1' _cell_volume 76.97637502 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96405239 1.96405239 0.00000000 1 Na Na1 1 1.96405239 0.00000000 2.49437262 1 Na Na2 1 0.00000000 1.96405239 2.49437262 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuNa2Re
P4/mmm
123
tetragonal
4/mmm
9,257.717065
false
[CIF] data_CaIrCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89579853 _cell_length_b 4.89579853 _cell_length_c 4.89579853 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaIrCl _chemical_formula_sum 'Ca1 Ir1 Cl1' _cell_volume 82.97659608 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.19277851 5.19277851 5.19277851 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 3.46185234 3.46185234 3.46185234 1 [/CIF]
CaClIr
F-43m
216
cubic
-43m
5,358.209844
false
[CIF] data_NaCrFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.60252959 _cell_length_b 3.52363615 _cell_length_c 6.87673337 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.52399555 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCrFe2 _chemical_formula_sum 'Na1 Cr1 Fe2' _cell_volume 63.05953390 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.20873847 1.76181808 5.78121770 1 Fe Fe1 1 2.52021921 0.00000000 6.82085186 1 Fe Fe2 1 1.30422020 1.76181808 1.20277199 1 Na Na3 1 0.01465651 0.00000000 3.38627300 1 [/CIF]
CrFe2Na
Pm
6
monoclinic
m
4,915.71305
false
[CIF] data_VB2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89821258 _cell_length_b 3.89821258 _cell_length_c 3.89821258 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VB2Rh _chemical_formula_sum 'V1 B2 Rh1' _cell_volume 41.88722198 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.37822627 1.37822627 1.37822627 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 4.13467882 4.13467882 4.13467882 1 V V3 1 2.75645255 2.75645255 2.75645255 1 [/CIF]
B2RhV
F-43m
216
cubic
-43m
6,956.134012
false
[CIF] data_NaSc2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20554335 _cell_length_b 5.20554335 _cell_length_c 5.20554335 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSc2In _chemical_formula_sum 'Na1 Sc2 In1' _cell_volume 99.74317851 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84043750 1.84043750 1.84043750 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 5.52131250 5.52131250 5.52131250 1 Sc Sc3 1 3.68087500 3.68087500 3.68087500 1 [/CIF]
InNaSc2
F-43m
216
cubic
-43m
3,791.109192
false
[CIF] data_Sc2GeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78012232 _cell_length_b 4.78012232 _cell_length_c 3.43280832 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.76134197 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2GeAu _chemical_formula_sum 'Sc2 Ge1 Au1' _cell_volume 78.40113185 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.32770615 -0.00000000 0.00000000 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 1.66385308 1.71580456 1.71640416 1 Sc Sc3 1 1.66385308 -1.71580456 1.71640416 1 [/CIF]
AuGeSc2
Cmmm
65
orthorhombic
mmm
7,614.613752
false
[CIF] data_Ta2NiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01433951 _cell_length_b 5.01433951 _cell_length_c 5.01433951 _cell_angle_alpha 134.94420918 _cell_angle_beta 134.94420918 _cell_angle_gamma 65.61689817 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2NiIr _chemical_formula_sum 'Ta2 Ni1 Ir1' _cell_volume 62.22022966 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 1.92115991 2.10724286 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.92115991 -0.00000000 2.10724287 1 Ta Ta3 1 0.00000000 -0.00000000 4.21448573 1 [/CIF]
IrNiTa2
I-4m2
119
tetragonal
-42m
16,354.625731
false
[CIF] data_ScCd2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23488594 _cell_length_b 3.23488594 _cell_length_c 8.33667092 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.07179001 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCd2As _chemical_formula_sum 'Sc1 Cd2 As1' _cell_volume 87.11363770 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.16833546 1 Cd Cd1 1 2.22527805 0.00000000 6.19376751 1 Cd Cd2 1 2.22527805 0.00000000 2.14290341 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsCd2Sc
Cmmm
65
orthorhombic
mmm
6,570.578626
false
[CIF] data_Ti3SbCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29291630 _cell_length_b 5.29291630 _cell_length_c 5.29291630 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3SbCl _chemical_formula_sum 'Ti3 Sb1 Cl1' _cell_volume 148.28085409 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 2.64645815 2.64645815 2.64645815 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 2.64645815 0.00000000 2.64645815 1 Ti Ti3 1 2.64645815 2.64645815 0.00000000 1 Ti Ti4 1 0.00000000 2.64645815 2.64645815 1 [/CIF]
ClSbTi3
Pm-3m
221
cubic
m-3m
3,368.69788
false
[CIF] data_Li2VCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03486365 _cell_length_b 5.03486365 _cell_length_c 2.38869046 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 125.44361518 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2VCo _chemical_formula_sum 'Li2 V1 Co1' _cell_volume 49.33167630 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 2.30753491 -0.00000000 0.00000000 1 Li Li1 1 1.15376746 -2.23747260 1.19434523 1 Li Li2 1 1.15376745 2.23747260 1.19434523 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoLi2V
Cmmm
65
orthorhombic
mmm
4,165.737762
false
[CIF] data_CaFeRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85692371 _cell_length_b 4.85692371 _cell_length_c 5.20803629 _cell_angle_alpha 101.72012505 _cell_angle_beta 101.72012505 _cell_angle_gamma 33.85339385 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaFeRu2 _chemical_formula_sum 'Ca1 Fe1 Ru2' _cell_volume 66.87884370 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 4.07241947 0.00000000 2.47146932 1 Fe Fe1 1 6.52634104 0.00000000 0.94205626 1 Ru Ru2 1 -1.01979040 0.00000000 5.04574180 1 Ru Ru3 1 1.59601352 0.00000000 4.26394014 1 [/CIF]
CaFeRu2
Cm
8
monoclinic
m
7,400.625197
false
[CIF] data_NaCuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28323525 _cell_length_b 4.28323525 _cell_length_c 4.28323525 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCuPt _chemical_formula_sum 'Na1 Cu1 Pt1' _cell_volume 55.56493183 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.51435235 1.51435235 1.51435235 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 3.02870469 3.02870469 3.02870469 1 [/CIF]
CuNaPt
F-43m
216
cubic
-43m
8,416.110907
false
[CIF] data_TiNbFeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39246107 _cell_length_b 4.39246107 _cell_length_c 4.39246107 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNbFeMo _chemical_formula_sum 'Ti1 Nb1 Fe1 Mo1' _cell_volume 59.92509979 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55296951 1.55296951 1.55296951 1 Mo Mo1 1 4.65890852 4.65890852 4.65890852 1 Nb Nb2 1 3.10593901 3.10593901 3.10593901 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeMoNbTi
F-43m
216
cubic
-43m
8,107.417955
false
[CIF] data_Ca2PdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07948029 _cell_length_b 5.07948029 _cell_length_c 3.61593195 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2PdAu _chemical_formula_sum 'Ca2 Pd1 Au1' _cell_volume 93.29509398 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.53974014 2.53974014 0.00000000 1 Ca Ca1 1 2.53974014 0.00000000 1.80796597 1 Ca Ca2 1 0.00000000 2.53974014 1.80796597 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCa2Pd
P4/mmm
123
tetragonal
4/mmm
6,827.235996
false
[CIF] data_HfZn2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51719788 _cell_length_b 4.51719788 _cell_length_c 4.51719788 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZn2Pt _chemical_formula_sum 'Hf1 Zn2 Pt1' _cell_volume 65.17669704 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.19414125 3.19414125 3.19414125 1 Pt Pt1 1 4.79121188 4.79121188 4.79121188 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 1.59707062 1.59707063 1.59707062 1 [/CIF]
HfPtZn2
F-43m
216
cubic
-43m
12,849.167689
false
[CIF] data_YRu3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96157535 _cell_length_b 4.96157535 _cell_length_c 4.96157535 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YRu3O _chemical_formula_sum 'Y1 Ru3 O1' _cell_volume 122.14024132 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 2.48078768 2.48078768 2.48078768 1 Ru Ru1 1 2.48078768 0.00000000 2.48078768 1 Ru Ru2 1 2.48078768 2.48078768 0.00000000 1 Ru Ru3 1 0.00000000 2.48078768 2.48078768 1 O O4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ORu3Y
Pm-3m
221
cubic
m-3m
5,548.468784
false
[CIF] data_Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53047973 _cell_length_b 5.53047973 _cell_length_c 3.25270886 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg _chemical_formula_sum Hg3 _cell_volume 86.15915564 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 2.76523987 1.59651198 1.62635443 1 Hg Hg2 1 0.00000000 3.19302396 1.62635443 1 [/CIF]
Hg6
P6/mmm
191
hexagonal
6/mmm
11,605.47244
false
[CIF] data_BeSnOsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77314399 _cell_length_b 4.77314399 _cell_length_c 4.77314399 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSnOsPb _chemical_formula_sum 'Be1 Sn1 Os1 Pb1' _cell_volume 76.89508980 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 1.68756124 1.68756124 1.68756124 1 Pb Pb2 1 3.37512248 3.37512248 3.37512248 1 Sn Sn3 1 5.06268372 5.06268372 5.06268372 1 [/CIF]
BeOsPbSn
F-43m
216
cubic
-43m
11,340.590361
false
[CIF] data_SrNbTlAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22745489 _cell_length_b 5.22745489 _cell_length_c 5.22745489 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNbTlAg _chemical_formula_sum 'Sr1 Nb1 Tl1 Ag1' _cell_volume 101.00802586 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.69636880 3.69636880 3.69636880 1 Nb Nb1 1 1.84818440 1.84818440 1.84818440 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 5.54455320 5.54455320 5.54455320 1 [/CIF]
AgNbSrTl
F-43m
216
cubic
-43m
8,101.107946
false
[CIF] data_HfZr2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79796203 _cell_length_b 5.79796203 _cell_length_c 5.36953438 _cell_angle_alpha 116.12946849 _cell_angle_beta 116.12946849 _cell_angle_gamma 32.33192473 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr2Au _chemical_formula_sum 'Hf1 Zr2 Au1' _cell_volume 85.79107168 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.53699316 -0.00000000 1.96154525 1 Hf Hf1 1 7.79383898 -0.00000000 1.59920577 1 Zr Zr2 1 -2.36574412 0.00000000 4.60468430 1 Zr Zr3 1 0.58577684 0.00000000 3.76403326 1 [/CIF]
AuHfZr2
Cm
8
monoclinic
m
10,798.586777
false
[CIF] data_Rb2PaZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54519108 _cell_length_b 6.54519108 _cell_length_c 6.54519108 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2PaZn _chemical_formula_sum 'Rb2 Pa1 Zn1' _cell_volume 198.26771096 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pa Pa0 1 4.62814900 4.62814900 4.62814900 1 Rb Rb1 1 2.31407450 2.31407450 2.31407450 1 Rb Rb2 1 6.94222350 6.94222350 6.94222350 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PaRb2Zn
Fm-3m
225
cubic
m-3m
3,914.179402
false
[CIF] data_ReAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.37307667 _cell_length_b 6.37307667 _cell_length_c 6.37307667 _cell_angle_alpha 151.93216327 _cell_angle_beta 141.42762988 _cell_angle_gamma 48.37807122 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReAs3 _chemical_formula_sum 'Re1 As3' _cell_volume 75.64723752 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54544723 -0.00000000 3.69306012 1 As As1 1 0.00000000 0.00000000 0.00000000 1 As As2 1 -0.00000000 2.10494321 2.12045114 1 Re Re3 1 -0.00000000 0.00000000 5.81351126 1 [/CIF]
As3Re
Immm
71
orthorhombic
mmm
9,021.277598
false
[CIF] data_MoOsRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73506243 _cell_length_b 2.73506243 _cell_length_c 7.75992127 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoOsRu2 _chemical_formula_sum 'Mo1 Os1 Ru2' _cell_volume 58.04860713 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.84533346 1 Os Os1 1 1.36753122 1.36753122 5.89852521 1 Ru Ru2 1 0.00000000 0.00000000 7.73941971 1 Ru Ru3 1 1.36753122 1.36753122 1.91652479 1 [/CIF]
MoOsRu2
P4mm
99
tetragonal
4mm
13,969.261164
false
[CIF] data_InAg4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.10338926 _cell_length_b 12.10338926 _cell_length_c 12.10338926 _cell_angle_alpha 14.46425418 _cell_angle_beta 14.46425418 _cell_angle_gamma 14.46425418 _symmetry_Int_Tables_number 1 _chemical_formula_structural InAg4 _chemical_formula_sum 'In1 Ag4' _cell_volume 96.30593756 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ag Ag1 1 0.00000000 0.00000000 21.45902487 1 Ag Ag2 1 0.00000000 -0.00000000 7.16499509 1 Ag Ag3 1 0.00000000 0.00000000 28.75949121 1 Ag Ag4 1 -0.00000000 0.00000000 14.46546143 1 [/CIF]
Ag4In
R-3m
166
trigonal
-3m
9,419.328775
false
[CIF] data_Na5SnAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.53566935 _cell_length_b 7.57431860 _cell_length_c 16.02551514 _cell_angle_alpha 90.00000000 _cell_angle_beta 121.76672261 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5SnAs3 _chemical_formula_sum 'Na20 Sn4 As12' _cell_volume 880.87348896 _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 As As0 1 0.89448467 2.19832130 7.79145748 1 As As1 1 0.89745727 1.90728121 3.54407546 1 As As2 1 -7.24695706 2.03231382 12.49763862 1 As As3 1 3.12738715 5.81947312 7.93966732 1 As As4 1 3.41979899 5.69444051 3.26835985 1 As As5 1 -5.01405459 5.98548060 12.64584846 1 As As6 1 5.11289776 1.58883800 0.97902216 1 As As7 1 -3.32095582 1.87987809 10.35651077 1 As As8 1 -3.02854397 1.75484548 5.68520331 1 As As9 1 7.34580024 5.54200478 1.12723201 1 As As10 1 -0.79861410 5.66703739 10.08079517 1 As As11 1 -0.79564150 5.37599730 5.83341315 1 Na Na12 1 0.63143223 4.87035389 3.31559728 1 Na Na13 1 0.73301277 5.00749723 12.50358533 1 Na Na14 1 1.42927276 7.39567118 1.18984783 1 Na Na15 1 1.51263940 7.53791415 10.10129596 1 Na Na16 1 1.57529476 7.28855804 5.60671315 1 Na Na17 1 2.74196150 3.50139874 1.20572216 1 Na Na18 1 -5.63220931 3.75075485 10.33600998 1 Na Na19 1 2.88798350 3.60851188 5.62258749 1 Na Na20 1 -4.85258268 1.22033793 7.93372061 1 Na Na21 1 3.68582403 1.08319459 3.49683803 1 Na Na22 1 -3.58698086 6.49112401 10.12803259 1 Na Na23 1 4.95142585 6.35398067 5.69115002 1 Na Na24 1 -2.78914033 3.96580672 8.00228314 1 Na Na25 1 5.73105249 3.82356375 3.28886065 1 Na Na26 1 -2.64311832 4.07291986 12.41914846 1 Na Na27 1 -1.47645159 0.28576056 8.01815748 1 Na Na28 1 -1.41379623 0.03640445 3.52357466 1 Na Na29 1 -1.33042958 0.17864742 12.43502280 1 Na Na30 1 -0.63416959 2.56682137 1.12128530 1 Na Na31 1 -0.53258906 2.70396471 10.30927335 1 Sn Sn32 1 0.66424011 4.90626139 8.03959825 1 Sn Sn33 1 -4.78381002 1.11910209 12.39770769 1 Sn Sn34 1 4.88265320 6.45521651 1.22716294 1 Sn Sn35 1 -0.56539693 2.66805721 5.58527237 1 [/CIF]
As12Na20Sn4
P2_1/c
14
monoclinic
2/m
3,456.706932
false
[CIF] data_Ti3Al5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.52488845 _cell_length_b 9.52488845 _cell_length_c 9.52488845 _cell_angle_alpha 160.53704905 _cell_angle_beta 152.33955010 _cell_angle_gamma 34.04773237 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Al5 _chemical_formula_sum 'Ti3 Al5' _cell_volume 133.54499200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.55376767 1 Al Al1 1 1.61000000 0.00000000 6.83065151 1 Al Al2 1 -0.00000000 2.27688384 2.27688384 1 Al Al3 1 -0.00000000 0.00000000 13.66130301 1 Al Al4 1 0.00000000 0.00000000 0.00000000 1 Ti Ti5 1 0.00000000 0.00000000 9.10753534 1 Ti Ti6 1 -0.00000000 2.27688384 6.83065151 1 Ti Ti7 1 1.61000000 0.00000000 2.27688384 1 [/CIF]
Al5Ti3
Immm
71
orthorhombic
mmm
3,463.061835
false
[CIF] data_TcMoAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06417779 _cell_length_b 4.60088600 _cell_length_c 4.40467533 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcMoAs2 _chemical_formula_sum 'Tc1 Mo1 As2' _cell_volume 62.09681636 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53208889 2.30044300 4.39874673 1 As As1 1 0.00000000 0.00000000 3.32555895 1 Mo Mo2 1 0.00000000 2.30044300 2.14528818 1 Tc Tc3 1 1.53208889 0.00000000 1.14209448 1 [/CIF]
As2MoTc
Pmm2
25
orthorhombic
mm2
9,217.931956
false
[CIF] data_CdInNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12001999 _cell_length_b 3.12001999 _cell_length_c 6.52845081 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdInNi2 _chemical_formula_sum 'Cd1 In1 Ni2' _cell_volume 63.55136591 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.95750736 1 In In1 1 1.56000999 1.56000999 5.23889343 1 Ni Ni2 1 0.00000000 0.00000000 0.15289841 1 Ni Ni3 1 1.56000999 1.56000999 1.44337695 1 [/CIF]
CdInNi2
P4mm
99
tetragonal
4mm
9,004.654303
false
[CIF] data_FeReRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67762916 _cell_length_b 2.67762916 _cell_length_c 7.47886634 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeReRh2 _chemical_formula_sum 'Fe1 Re1 Rh2' _cell_volume 53.62121243 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.75477577 1 Re Re1 1 1.33881458 1.33881458 5.49897558 1 Rh Rh2 1 0.00000000 0.00000000 7.45063175 1 Rh Rh3 1 1.33881458 1.33881458 1.99278283 1 [/CIF]
FeReRh2
P4mm
99
tetragonal
4mm
13,869.399334
false
[CIF] data_SrTiBeFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52449004 _cell_length_b 4.52449004 _cell_length_c 4.52449004 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTiBeFe _chemical_formula_sum 'Sr1 Ti1 Be1 Fe1' _cell_volume 65.49285340 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 4.79894638 4.79894638 4.79894639 1 Sr Sr2 1 1.59964879 1.59964879 1.59964880 1 Ti Ti3 1 3.19929759 3.19929759 3.19929759 1 [/CIF]
BeFeSrTi
F-43m
216
cubic
-43m
5,079.628138
false
[CIF] data_KZrAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41816742 _cell_length_b 3.61454791 _cell_length_c 8.14181552 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZrAu2 _chemical_formula_sum 'K1 Zr1 Au2' _cell_volume 100.59318840 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70908371 1.80727396 5.57519513 1 Au Au1 1 1.70908371 1.80727396 2.56662039 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 4.07090776 1 [/CIF]
Au2KZr
Pmmm
47
orthorhombic
mmm
8,654.131055
false
[CIF] data_MnAlCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38012094 _cell_length_b 4.38012094 _cell_length_c 4.38012094 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAlCd _chemical_formula_sum 'Mn1 Al1 Cd1' _cell_volume 59.42145867 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 3.09721322 3.09721322 3.09721322 1 Mn Mn2 1 4.64581983 4.64581983 4.64581983 1 [/CIF]
AlCdMn
F-43m
216
cubic
-43m
5,430.589102
false
[CIF] data_Ge4BRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26360370 _cell_length_b 5.26360370 _cell_length_c 5.26360370 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge4BRu _chemical_formula_sum 'Ge4 B1 Ru1' _cell_volume 103.11801702 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 4.65097602 4.65097602 2.79288372 1 Ge Ge2 1 4.65097602 2.79288372 4.65097602 1 Ge Ge3 1 2.79288372 4.65097602 4.65097602 1 Ge Ge4 1 2.79288372 2.79288372 2.79288372 1 Ru Ru5 1 5.58289480 5.58289480 5.58289480 1 [/CIF]
BGe4Ru
F-43m
216
cubic
-43m
6,480.623094
false
[CIF] data_SnGePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06480766 _cell_length_b 7.01412327 _cell_length_c 3.46601645 _cell_angle_alpha 76.56170494 _cell_angle_beta 74.93751333 _cell_angle_gamma 28.50078173 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnGePb _chemical_formula_sum 'Sn1 Ge1 Pb1' _cell_volume 79.13675447 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.37694005 2.52258320 13.09832010 1 Pb Pb1 1 2.37694005 2.52258320 8.65367570 1 Sn Sn2 1 2.37694005 2.52258320 4.64439234 1 [/CIF]
GePbSn
Fmm2
42
orthorhombic
mm2
8,362.837843
false
[CIF] data_LaGaW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60122898 _cell_length_b 5.60122898 _cell_length_c 2.77697331 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.83967146 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGaW2 _chemical_formula_sum 'La1 Ga1 W2' _cell_volume 78.41319881 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 2.97484226 0.00000000 0.00000000 1 W W2 1 1.48742113 -2.37297702 1.38848665 1 W W3 1 1.48742113 2.37297702 1.38848665 1 [/CIF]
GaLaW2
Cmmm
65
orthorhombic
mmm
12,204.357727
false
[CIF] data_Y2GaPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.24989808 _cell_length_b 8.24989808 _cell_length_c 8.24989808 _cell_angle_alpha 26.66717245 _cell_angle_beta 26.66717245 _cell_angle_gamma 26.66717245 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2GaPd _chemical_formula_sum 'Y2 Ga1 Pd1' _cell_volume 99.71462013 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 0.00000000 -0.00000000 11.92800328 1 Y Y2 1 -0.00000000 -0.00000000 18.01081213 1 Y Y3 1 -0.00000000 0.00000000 5.84519443 1 [/CIF]
GaPdY2
R-3m
166
trigonal
-3m
5,894.377438
false
[CIF] data_SrLa2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82405922 _cell_length_b 3.82405922 _cell_length_c 9.45100231 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLa2Au _chemical_formula_sum 'Sr1 La2 Au1' _cell_volume 138.20606032 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91202961 1.91202961 7.28485791 1 La La1 1 0.00000000 0.00000000 8.98614002 1 La La2 1 1.91202961 1.91202961 2.07612861 1 Sr Sr3 1 0.00000000 0.00000000 5.28037914 1 [/CIF]
AuLa2Sr
P4mm
99
tetragonal
4mm
6,757.194599
false
[CIF] data_Cr2InSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74964785 _cell_length_b 8.74964785 _cell_length_c 8.74964785 _cell_angle_alpha 21.85797717 _cell_angle_beta 21.85797717 _cell_angle_gamma 21.85797717 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2InSb _chemical_formula_sum 'Cr2 In1 Sb1' _cell_volume 81.38391596 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.35300543 1 Cr Cr1 1 0.00000000 0.00000000 19.25919924 1 In In2 1 -0.00000000 -0.00000000 -0.00000000 1 Sb Sb3 1 0.00000000 0.00000000 12.80610234 1 [/CIF]
Cr2InSb
R-3m
166
trigonal
-3m
6,948.91755
false
[CIF] data_ZrAl2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25600912 _cell_length_b 4.25600912 _cell_length_c 3.96371797 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAl2Ag _chemical_formula_sum 'Zr1 Al2 Ag1' _cell_volume 71.79725584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.12800456 2.12800456 0.00000000 1 Al Al1 1 2.12800456 0.00000000 1.98185899 1 Al Al2 1 0.00000000 2.12800456 1.98185899 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgAl2Zr
P4/mmm
123
tetragonal
4/mmm
5,852.705216
false
[CIF] data_MgGa2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35041277 _cell_length_b 4.07038704 _cell_length_c 6.73468991 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgGa2Bi _chemical_formula_sum 'Mg1 Ga2 Bi1' _cell_volume 91.84417685 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67520639 2.03519352 5.04386560 1 Ga Ga1 1 0.00000000 0.00000000 0.26041376 1 Ga Ga2 1 1.67520639 2.03519352 1.63299522 1 Mg Mg3 1 0.00000000 0.00000000 3.16476023 1 [/CIF]
BiGa2Mg
Pmm2
25
orthorhombic
mm2
6,738.968896
false
[CIF] data_TaAlFeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38032974 _cell_length_b 4.38032974 _cell_length_c 4.38032974 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAlFeMo _chemical_formula_sum 'Ta1 Al1 Fe1 Mo1' _cell_volume 59.42995670 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Fe Fe1 1 4.64604129 4.64604129 4.64604129 1 Mo Mo2 1 1.54868043 1.54868043 1.54868043 1 Ta Ta3 1 3.09736086 3.09736086 3.09736086 1 [/CIF]
AlFeMoTa
F-43m
216
cubic
-43m
10,051.379621
false
[CIF] data_KLiBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58614124 _cell_length_b 5.58614124 _cell_length_c 5.58614124 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiBr _chemical_formula_sum 'K1 Li1 Br1' _cell_volume 123.25959554 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.94999835 3.94999835 3.94999835 1 K K1 1 5.92499753 5.92499753 5.92499753 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrKLi
F-43m
216
cubic
-43m
1,696.693624
false
[CIF] data_AcLaPa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61631299 _cell_length_b 5.61631299 _cell_length_c 5.61631299 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcLaPa2 _chemical_formula_sum 'Ac1 La1 Pa2' _cell_volume 125.26764401 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.97133300 3.97133300 3.97133300 1 La La1 1 0.00000000 0.00000000 0.00000000 1 Pa Pa2 1 1.98566650 1.98566650 1.98566650 1 Pa Pa3 1 5.95699950 5.95699950 5.95699950 1 [/CIF]
AcLaPa2
Fm-3m
225
cubic
m-3m
10,975.607848
false
[CIF] data_K2TiSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66192527 _cell_length_b 4.66192527 _cell_length_c 5.32789226 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2TiSe _chemical_formula_sum 'K2 Ti1 Se1' _cell_volume 115.79399803 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 2.33096264 2.66394613 1 K K1 1 2.33096264 0.00000000 2.66394613 1 Se Se2 1 2.33096264 2.33096264 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2SeTi
P4/mmm
123
tetragonal
4/mmm
2,940.134707
false
[CIF] data_BaLaGaIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14341354 _cell_length_b 5.14341354 _cell_length_c 5.14341354 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLaGaIr _chemical_formula_sum 'Ba1 La1 Ga1 Ir1' _cell_volume 96.21423534 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.81847130 1.81847130 1.81847130 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 5.45541389 5.45541389 5.45541389 1 La La3 1 3.63694259 3.63694259 3.63694259 1 [/CIF]
BaGaIrLa
F-43m
216
cubic
-43m
9,288.193247
false
[CIF] data_ScAgBiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81456094 _cell_length_b 4.81456094 _cell_length_c 4.81456094 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAgBiIr _chemical_formula_sum 'Sc1 Ag1 Bi1 Ir1' _cell_volume 78.91418342 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70220435 1.70220435 1.70220435 1 Bi Bi1 1 3.40440869 3.40440869 3.40440869 1 Ir Ir2 1 5.10661304 5.10661304 5.10661304 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgBiIrSc
F-43m
216
cubic
-43m
11,657.908941
false
[CIF] data_LaOs2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66843326 _cell_length_b 5.66843326 _cell_length_c 5.66843326 _cell_angle_alpha 137.16159513 _cell_angle_beta 137.16159513 _cell_angle_gamma 62.18951220 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaOs2Pb _chemical_formula_sum 'La1 Os2 Pb1' _cell_volume 83.19883348 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 2.07004836 -0.00000000 2.42698039 1 Os Os2 1 0.00000000 -0.00000000 4.85396078 1 Pb Pb3 1 0.00000000 2.07004836 2.42698039 1 [/CIF]
LaOs2Pb
I-4m2
119
tetragonal
-42m
14,501.289223
false
[CIF] data_Eu2TeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43437724 _cell_length_b 5.43437724 _cell_length_c 5.43437724 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Eu2TeMo _chemical_formula_sum 'Eu2 Te1 Mo1' _cell_volume 113.48392576 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Eu Eu0 1 5.76402750 5.76402750 5.76402750 1 Eu Eu1 1 1.92134250 1.92134250 1.92134250 1 Mo Mo2 1 -0.00000000 0.00000000 0.00000000 1 Te Te3 1 3.84268500 3.84268500 3.84268500 1 [/CIF]
Eu2MoTe
Fm-3m
225
cubic
m-3m
7,718.400869
false
[CIF] data_LaSn4Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15740397 _cell_length_b 6.15740397 _cell_length_c 6.15740397 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSn4Au _chemical_formula_sum 'La1 Sn4 Au1' _cell_volume 165.07372204 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.53091315 6.53091315 6.53091315 1 La La1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 5.44007693 5.44007693 3.26780727 1 Sn Sn3 1 5.44007693 3.26780727 5.44007693 1 Sn Sn4 1 3.26780727 5.44007693 5.44007693 1 Sn Sn5 1 3.26780727 3.26780727 3.26780727 1 [/CIF]
AuLaSn4
F-43m
216
cubic
-43m
8,155.259334
false
[CIF] data_AlAsRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90116149 _cell_length_b 2.90116149 _cell_length_c 7.53104629 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlAsRu2 _chemical_formula_sum 'Al1 As1 Ru2' _cell_volume 63.38684342 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.38121656 1 As As1 1 1.45058074 1.45058074 6.02267306 1 Ru Ru2 1 0.00000000 0.00000000 0.03558246 1 Ru Ru3 1 1.45058074 1.45058074 1.85709735 1 [/CIF]
AlAsRu2
P4mm
99
tetragonal
4mm
7,964.988984
false
[CIF] data_TeIr3Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82400705 _cell_length_b 4.82400705 _cell_length_c 4.82400705 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeIr3Pd _chemical_formula_sum 'Te1 Ir3 Pd1' _cell_volume 112.25968041 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.41200352 0.00000000 2.41200352 1 Ir Ir1 1 2.41200352 2.41200352 0.00000000 1 Ir Ir2 1 0.00000000 2.41200352 2.41200352 1 Te Te3 1 2.41200352 2.41200352 2.41200352 1 Pd Pd4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir3PdTe
Pm-3m
221
cubic
m-3m
11,991.401194
false
[CIF] data_Ca2InW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.35596953 _cell_length_b 7.35596953 _cell_length_c 7.35596953 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2InW _chemical_formula_sum 'Ca2 In1 W1' _cell_volume 281.45227785 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.80218391 7.80218391 7.80218391 1 Ca Ca1 1 2.60072797 2.60072797 2.60072797 1 In In2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 5.20145594 5.20145594 5.20145594 1 [/CIF]
Ca2InW
Fm-3m
225
cubic
m-3m
2,234.963067
false
[CIF] data_LaCu2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01718919 _cell_length_b 5.01718919 _cell_length_c 5.01718919 _cell_angle_alpha 130.94533016 _cell_angle_beta 130.94533016 _cell_angle_gamma 71.89995233 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCu2Os _chemical_formula_sum 'La1 Cu2 Os1' _cell_volume 70.47530133 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 2.08277232 -0.00000000 2.03078226 1 La La2 1 0.00000000 0.00000000 4.06156451 1 Os Os3 1 -0.00000000 2.08277232 2.03078226 1 [/CIF]
Cu2LaOs
I-4m2
119
tetragonal
-42m
10,749.631757
false
[CIF] data_K2FeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21553759 _cell_length_b 5.21553759 _cell_length_c 5.21553759 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2FeIr _chemical_formula_sum 'K2 Fe1 Ir1' _cell_volume 100.31878015 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 3.68794200 3.68794200 3.68794200 1 K K2 1 5.53191300 5.53191300 5.53191300 1 K K3 1 1.84397100 1.84397100 1.84397100 1 [/CIF]
FeIrK2
Fm-3m
225
cubic
m-3m
5,400.435993
false
[CIF] data_Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90009957 _cell_length_b 2.90009957 _cell_length_c 2.90009957 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti _chemical_formula_sum Ti1 _cell_volume 17.24740365 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ti
Fm-3m
225
cubic
m-3m
4,608.521091
false
[CIF] data_NaLiSc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16640329 _cell_length_b 5.16640329 _cell_length_c 5.16640329 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiSc _chemical_formula_sum 'Na1 Li1 Sc1' _cell_volume 97.51017023 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 3.65319880 3.65319880 3.65319880 1 Sc Sc2 1 1.82659940 1.82659940 1.82659940 1 [/CIF]
LiNaSc
F-43m
216
cubic
-43m
1,275.274769
false
[CIF] data_KSb2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71732814 _cell_length_b 4.71732814 _cell_length_c 5.39736358 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSb2Te _chemical_formula_sum 'K1 Sb2 Te1' _cell_volume 120.10852907 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 0.00000000 2.35866407 2.69868179 1 Sb Sb2 1 2.35866407 0.00000000 2.69868179 1 Te Te3 1 2.35866407 2.35866407 0.00000000 1 [/CIF]
KSb2Te
P4/mmm
123
tetragonal
4/mmm
5,671.40001
false
[CIF] data_NaLi2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.25842676 _cell_length_b 10.25842676 _cell_length_c 10.25842676 _cell_angle_alpha 19.60205836 _cell_angle_beta 19.60205836 _cell_angle_gamma 19.60205836 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLi2Pb _chemical_formula_sum 'Na1 Li2 Pb1' _cell_volume 106.25139873 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 22.94168907 1 Li Li1 1 0.00000000 0.00000000 7.23321194 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 0.00000000 -0.00000000 15.08745051 1 [/CIF]
Li2NaPb
R-3m
166
trigonal
-3m
3,814.450565
false
[CIF] data_Mg4TaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40942807 _cell_length_b 5.40942807 _cell_length_c 5.40942807 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4TaPt _chemical_formula_sum 'Mg4 Ta1 Pt1' _cell_volume 111.92807970 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.78111531 4.78111531 2.86897123 1 Mg Mg1 1 4.78111531 2.86897123 4.78111531 1 Mg Mg2 1 2.86897123 4.78111531 4.78111531 1 Mg Mg3 1 2.86897123 2.86897123 2.86897123 1 Pt Pt4 1 5.73756491 5.73756491 5.73756491 1 Ta Ta5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg4PtTa
F-43m
216
cubic
-43m
7,021.055281
false
[CIF] data_Gd2NbRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99872168 _cell_length_b 4.99872168 _cell_length_c 4.99872168 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd2NbRu _chemical_formula_sum 'Gd2 Nb1 Ru1' _cell_volume 88.32057203 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Gd Gd0 1 5.30194500 5.30194500 5.30194500 1 Gd Gd1 1 1.76731500 1.76731500 1.76731500 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 3.53463000 3.53463000 3.53463000 1 [/CIF]
Gd2NbRu
Fm-3m
225
cubic
m-3m
9,560.002545
false
[CIF] data_AlAs2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11157891 _cell_length_b 5.11157891 _cell_length_c 2.83650248 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlAs2Au _chemical_formula_sum 'Al1 As2 Au1' _cell_volume 74.11281459 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 2.55578946 1.41825124 1 As As2 1 2.55578946 0.00000000 1.41825124 1 Au Au3 1 2.55578946 2.55578946 0.00000000 1 [/CIF]
AlAs2Au
P4/mmm
123
tetragonal
4/mmm
8,375.003331
false
[CIF] data_ZnPt2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79304597 _cell_length_b 3.96605320 _cell_length_c 5.52583856 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnPt2W _chemical_formula_sum 'Zn1 Pt2 W1' _cell_volume 61.21175227 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 1.39652298 1.98302660 1.40617633 1 Pt Pt1 1 1.39652298 1.98302660 4.11966223 1 W W2 1 0.00000000 0.00000000 2.76291928 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pt2WZn
Pmmm
47
orthorhombic
mmm
17,346.261037
false
[CIF] data_Tl2AsPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.61319728 _cell_length_b 9.61319728 _cell_length_c 9.61319728 _cell_angle_alpha 20.00525709 _cell_angle_beta 20.00525709 _cell_angle_gamma 20.00525709 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2AsPt _chemical_formula_sum 'Tl2 As1 Pt1' _cell_volume 90.95888611 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 -0.00000000 -0.00000000 14.12679490 1 Tl Tl2 1 0.00000000 0.00000000 6.87706672 1 Tl Tl3 1 0.00000000 0.00000000 21.37652308 1 [/CIF]
AsPtTl2
R-3m
166
trigonal
-3m
12,391.617834
false
[CIF] data_BeV2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50168801 _cell_length_b 3.50168801 _cell_length_c 3.25290612 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeV2B _chemical_formula_sum 'Be1 V2 B1' _cell_volume 39.88654581 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75084401 1.75084401 0.00000000 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 0.00000000 1.75084401 1.62645306 1 V V3 1 1.75084401 0.00000000 1.62645306 1 [/CIF]
BBeV2
P4/mmm
123
tetragonal
4/mmm
5,066.81804
false
[CIF] data_K2MnAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37349876 _cell_length_b 3.90658836 _cell_length_c 10.45774504 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.53141448 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2MnAl _chemical_formula_sum 'K2 Mn1 Al1' _cell_volume 137.17950758 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.04275450 0.00000000 6.62604316 1 K K1 1 2.15209517 1.95329418 9.63561188 1 K K2 1 2.18418698 0.00000000 3.37201429 1 Mn Mn3 1 1.62012494 1.95329418 6.38895189 1 [/CIF]
AlK2Mn
Pm
6
monoclinic
m
1,938.184374
false
[CIF] data_MnVFeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18236145 _cell_length_b 4.18236145 _cell_length_c 4.18236145 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnVFeRh _chemical_formula_sum 'Mn1 V1 Fe1 Rh1' _cell_volume 51.73085896 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47868807 1.47868807 1.47868807 1 Mn Mn1 1 2.95737614 2.95737614 2.95737614 1 Rh Rh2 1 4.43606421 4.43606421 4.43606421 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeMnRhV
F-43m
216
cubic
-43m
8,494.514429
false
[CIF] data_NaHfSnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80669880 _cell_length_b 4.80669880 _cell_length_c 4.80669880 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHfSnW _chemical_formula_sum 'Na1 Hf1 Sn1 W1' _cell_volume 78.52821584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69942466 1.69942466 1.69942466 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 3.39884932 3.39884932 3.39884932 1 W W3 1 5.09827398 5.09827398 5.09827398 1 [/CIF]
HfNaSnW
F-43m
216
cubic
-43m
10,658.09421
false
[CIF] data_LaLu2Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32015460 _cell_length_b 5.32015460 _cell_length_c 5.32015460 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaLu2Nb _chemical_formula_sum 'La1 Lu2 Nb1' _cell_volume 106.47747939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.76191740 3.76191740 3.76191740 1 Lu Lu1 1 1.88095870 1.88095870 1.88095870 1 Lu Lu2 1 5.64287610 5.64287610 5.64287610 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaLu2Nb
Fm-3m
225
cubic
m-3m
9,072.444728
false
[CIF] data_La5Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54983381 _cell_length_b 6.54983381 _cell_length_c 6.54983381 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La5Au _chemical_formula_sum 'La5 Au1' _cell_volume 198.68992395 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.31571595 2.31571595 2.31571595 1 La La1 1 3.48047380 3.48047380 5.78239000 1 La La2 1 0.00000000 0.00000000 0.00000000 1 La La3 1 5.78239000 3.48047380 3.48047380 1 La La4 1 5.78239000 5.78239000 5.78239000 1 La La5 1 3.48047380 5.78239000 3.48047380 1 [/CIF]
AuLa5
F-43m
216
cubic
-43m
7,450.606708
false
[CIF] data_TaRe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23952868 _cell_length_b 5.23952868 _cell_length_c 5.23952868 _cell_angle_alpha 144.93264712 _cell_angle_beta 129.53790786 _cell_angle_gamma 62.93083050 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaRe3 _chemical_formula_sum 'Ta1 Re3' _cell_volume 63.02281834 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57849347 -0.00000000 2.18349304 1 Re Re1 1 0.00000000 0.00000000 4.46908427 1 Re Re2 1 -0.00000000 2.23345135 2.28559123 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Re3Ta
Immm
71
orthorhombic
mmm
19,486.323367
false
[CIF] data_SrMnCr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62901741 _cell_length_b 4.62901741 _cell_length_c 4.62901741 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMnCr3 _chemical_formula_sum 'Sr1 Mn1 Cr3' _cell_volume 99.18966936 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 2.31450871 2.31450871 2.31450871 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Cr Cr2 1 0.00000000 2.31450871 0.00000000 1 Cr Cr3 1 0.00000000 0.00000000 2.31450871 1 Cr Cr4 1 2.31450871 0.00000000 0.00000000 1 [/CIF]
Cr3MnSr
Pm-3m
221
cubic
m-3m
4,997.978845
false
[CIF] data_BeSb2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17382032 _cell_length_b 3.17382032 _cell_length_c 7.34377272 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSb2Ir _chemical_formula_sum 'Be1 Sb2 Ir1' _cell_volume 73.97481693 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 3.67188636 1 Sb Sb2 1 1.58691016 1.58691016 5.48209777 1 Sb Sb3 1 1.58691016 1.58691016 1.86167495 1 [/CIF]
BeIrSb2
P4/mmm
123
tetragonal
4/mmm
9,983.606799
false
[CIF] data_TaMoPdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56135051 _cell_length_b 4.56135051 _cell_length_c 4.56135051 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaMoPdAu _chemical_formula_sum 'Ta1 Mo1 Pd1 Au1' _cell_volume 67.10661645 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61268094 1.61268094 1.61268094 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 3.22536188 3.22536188 3.22536188 1 Ta Ta3 1 4.83804282 4.83804282 4.83804282 1 [/CIF]
AuMoPdTa
F-43m
216
cubic
-43m
14,359.263715
false
[CIF] data_ZrAgBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22521407 _cell_length_b 5.22521407 _cell_length_c 5.22521407 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAgBi2 _chemical_formula_sum 'Zr1 Ag1 Bi2' _cell_volume 100.87818604 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.69478430 3.69478430 3.69478430 1 Bi Bi1 1 1.84739215 1.84739215 1.84739215 1 Bi Bi2 1 5.54217645 5.54217645 5.54217645 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgBi2Zr
Fm-3m
225
cubic
m-3m
10,157.206953
false
[CIF] data_CuAg2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29302774 _cell_length_b 4.29302774 _cell_length_c 3.00533787 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 95.70683172 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuAg2B _chemical_formula_sum 'Cu1 Ag2 B1' _cell_volume 55.11411746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.44037447 -1.59149087 1.50266893 1 Ag Ag1 1 1.44037447 1.59149087 1.50266893 1 B B2 1 0.00000000 0.00000000 0.00000000 1 Cu Cu3 1 2.88074894 0.00000000 0.00000000 1 [/CIF]
Ag2BCu
Cmmm
65
orthorhombic
mmm
8,740.25469
false
[CIF] data_ScVTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59133476 _cell_length_b 3.59133476 _cell_length_c 7.52226073 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.33085585 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScVTe2 _chemical_formula_sum 'Sc1 V1 Te2' _cell_volume 96.93948158 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.99127135 1 Te Te1 1 2.48728144 -0.00000000 0.72618611 1 Te Te2 1 0.00000000 0.00000000 4.89726870 1 V V3 1 2.48728144 -0.00000000 3.66866493 1 [/CIF]
ScTe2V
Cmm2
35
orthorhombic
mm2
6,014.17461
false
[CIF] data_Sr2YHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91081914 _cell_length_b 5.91081914 _cell_length_c 4.24432834 _cell_angle_alpha 93.39559866 _cell_angle_beta 93.39559866 _cell_angle_gamma 104.27342068 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2YHg _chemical_formula_sum 'Sr2 Y1 Hg1' _cell_volume 143.03912536 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.62793959 0.00000000 0.00000000 1 Sr Sr1 1 1.60918106 -2.33322938 2.11226001 1 Sr Sr2 1 1.60918106 2.33322938 2.11226001 1 Y Y3 1 -0.00000000 0.00000000 0.00000000 1 [/CIF]
HgSr2Y
C2/m
12
monoclinic
2/m
5,395.111531
false
[CIF] data_TcBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14409916 _cell_length_b 3.14409916 _cell_length_c 9.09091452 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcBi _chemical_formula_sum 'Tc2 Bi2' _cell_volume 89.86695847 _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 Bi Bi0 1 1.57204958 0.00000000 1.80229553 1 Bi Bi1 1 0.00000000 1.57204958 7.28861899 1 Tc Tc2 1 1.57204958 0.00000000 5.29367416 1 Tc Tc3 1 0.00000000 1.57204958 3.79724036 1 [/CIF]
Bi2Tc2
P4/nmm
129
tetragonal
4/mmm
11,378.102388
false
[CIF] data_TiSiSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50303964 _cell_length_b 5.50303964 _cell_length_c 5.50303964 _cell_angle_alpha 133.97127077 _cell_angle_beta 133.97127077 _cell_angle_gamma 67.13288414 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSiSb2 _chemical_formula_sum 'Ti1 Si1 Sb2' _cell_volume 84.90037492 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15147881 2.29269073 1 Sb Sb1 1 2.15147881 0.00000000 2.29269073 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 4.58538146 1 [/CIF]
Sb2SiTi
I4/mmm
139
tetragonal
4/mmm
6,248.45965
false
[CIF] data_CoHgP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.66532206 _cell_length_b 3.52839442 _cell_length_c 7.44280663 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoHgP2 _chemical_formula_sum 'Co1 Hg1 P2' _cell_volume 69.99444209 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.63383339 1 Hg Hg1 1 1.33266103 1.76419721 5.49876057 1 P P2 1 0.00000000 0.00000000 0.46370784 1 P P3 1 1.33266103 1.76419721 2.56790806 1 [/CIF]
CoHgP2
Pmm2
25
orthorhombic
mm2
7,626.529646
false
[CIF] data_Sb(PbW)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16916037 _cell_length_b 7.16916037 _cell_length_c 7.16916037 _cell_angle_alpha 144.78240177 _cell_angle_beta 144.78240177 _cell_angle_gamma 50.65891394 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb(PbW)2 _chemical_formula_sum 'Sb1 Pb2 W2' _cell_volume 121.91715805 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.16878767 3.23996839 1 Pb Pb1 1 2.16878767 0.00000000 3.23996839 1 Sb Sb2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 7.65090152 1 W W4 1 -0.00000000 0.00000000 5.30897202 1 [/CIF]
Pb2SbW2
I4/mmm
139
tetragonal
4/mmm
12,310.503738
false
[CIF] data_Li2TePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04762387 _cell_length_b 4.04762387 _cell_length_c 4.10595525 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TePt _chemical_formula_sum 'Li2 Te1 Pt1' _cell_volume 67.26892827 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.02381194 2.05297763 1 Li Li1 1 2.02381194 0.00000000 2.05297763 1 Pt Pt2 1 2.02381194 2.02381194 0.00000000 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Li2PtTe
P4/mmm
123
tetragonal
4/mmm
8,308.198937
false
[CIF] data_CaAlGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65017590 _cell_length_b 4.65017590 _cell_length_c 5.61963255 _cell_angle_alpha 105.30646978 _cell_angle_beta 105.30646978 _cell_angle_gamma 48.44313776 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAlGe2 _chemical_formula_sum 'Ca1 Al1 Ge2' _cell_volume 87.03995655 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Ca Ca1 1 3.42745823 -0.00000000 2.68952429 1 Ge Ge2 1 5.96653456 -0.00000000 0.89080293 1 Ge Ge3 1 0.88838190 -0.00000000 4.48824564 1 [/CIF]
AlCaGe2
C2/m
12
monoclinic
2/m
4,050.991214
false
[CIF] data_MgSnCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41469705 _cell_length_b 3.41469705 _cell_length_c 8.09315921 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSnCl2 _chemical_formula_sum 'Mg1 Sn1 Cl2' _cell_volume 94.36749846 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.84628257 1 Cl Cl1 1 1.70734853 1.70734853 2.59811242 1 Mg Mg2 1 0.00000000 0.00000000 3.76278634 1 Sn Sn3 1 1.70734853 1.70734853 6.02571661 1 [/CIF]
Cl2MgSn
P4mm
99
tetragonal
4mm
3,764.264005
false
[CIF] data_Mn2TlTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77161175 _cell_length_b 4.77161175 _cell_length_c 4.77161175 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2TlTe _chemical_formula_sum 'Mn2 Tl1 Te1' _cell_volume 76.82106095 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.06105854 5.06105854 5.06105854 1 Mn Mn1 1 1.68701951 1.68701951 1.68701951 1 Te Te2 1 -0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.37403903 3.37403903 3.37403903 1 [/CIF]
Mn2TeTl
Fm-3m
225
cubic
m-3m
9,551.088855
false
[CIF] data_AgSnCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34684778 _cell_length_b 4.77972262 _cell_length_c 6.75257526 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSnCl2 _chemical_formula_sum 'Ag1 Sn1 Cl2' _cell_volume 108.02097371 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.09698299 1 Cl Cl1 1 1.67342389 2.38986131 5.76820402 1 Cl Cl2 1 0.00000000 0.00000000 1.98650851 1 Sn Sn3 1 1.67342389 2.38986131 3.02974256 1 [/CIF]
AgCl2Sn
Pmm2
25
orthorhombic
mm2
4,573.039094
false
[CIF] data_TbMgO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81241600 _cell_length_b 3.81241600 _cell_length_c 3.81241600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbMgO3 _chemical_formula_sum 'Tb1 Mg1 O3' _cell_volume 55.41162042 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 O O1 1 0.00000000 0.00000000 1.90620800 1 O O2 1 1.90620800 0.00000000 0.00000000 1 O O3 1 0.00000000 1.90620800 0.00000000 1 Tb Tb4 1 1.90620800 1.90620800 1.90620800 1 [/CIF]
MgO3Tb
Pm-3m
221
cubic
m-3m
6,929.305399
false
[CIF] data_YBeAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42337621 _cell_length_b 5.42337621 _cell_length_c 5.42337621 _cell_angle_alpha 47.26108659 _cell_angle_beta 47.26108659 _cell_angle_gamma 47.26108659 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBeAg2 _chemical_formula_sum 'Y1 Be1 Ag2' _cell_volume 78.70183159 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.26867340 1 Ag Ag1 1 -0.00000000 -0.00000000 4.15378782 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 0.00000000 0.00000000 7.21123061 1 [/CIF]
Ag2BeY
R-3m
166
trigonal
-3m
6,617.831209
false
[CIF] data_VOsSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39447766 _cell_length_b 4.39447766 _cell_length_c 4.39447766 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VOsSe2 _chemical_formula_sum 'V1 Os1 Se2' _cell_volume 60.00767273 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10736495 3.10736495 3.10736495 1 Se Se1 1 1.55368248 1.55368248 1.55368248 1 Se Se2 1 4.66104742 4.66104742 4.66104742 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsSe2V
Fm-3m
225
cubic
m-3m
11,043.70486
false
[CIF] data_CuRu2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73748657 _cell_length_b 3.76872623 _cell_length_c 5.43100573 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.83323055 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuRu2Pt _chemical_formula_sum 'Cu1 Ru2 Pt1' _cell_volume 56.02487833 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.03616115 0.00000000 2.72275110 1 Pt Pt1 1 1.29588214 1.88436312 4.00656814 1 Ru Ru2 1 2.73260768 0.00000000 0.10368773 1 Ru Ru3 1 1.36417708 1.88436312 1.31264020 1 [/CIF]
CuPtRu2
Pm
6
monoclinic
m
13,656.907583
false
[CIF] data_MgAlIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82905290 _cell_length_b 2.82905290 _cell_length_c 8.35663926 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.02309809 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAlIr2 _chemical_formula_sum 'Mg1 Al1 Ir2' _cell_volume 60.60491104 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.17831963 1 Ir Ir1 1 1.51956804 0.00000000 6.13328619 1 Ir Ir2 1 1.51956804 0.00000000 2.22335307 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AlIr2Mg
Cmmm
65
orthorhombic
mmm
11,938.487559
false
[CIF] data_CoPbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45587356 _cell_length_b 5.45587356 _cell_length_c 3.16521664 _cell_angle_alpha 99.71014955 _cell_angle_beta 99.71014955 _cell_angle_gamma 119.19782397 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoPbAu2 _chemical_formula_sum 'Co1 Pb1 Au2' _cell_volume 77.54373389 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.85299734 -2.35285655 1.49211887 1 Au Au1 1 0.85299734 2.35285655 1.49211887 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 2.76094560 -0.00000000 0.00000000 1 [/CIF]
Au2CoPb
C2/m
12
monoclinic
2/m
14,134.809835
false
[CIF] data_NiTeRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30381346 _cell_length_b 3.30381346 _cell_length_c 5.64421148 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiTeRh2 _chemical_formula_sum 'Ni1 Te1 Rh2' _cell_volume 61.60760333 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 1.65190673 1.65190673 1.31763016 1 Rh Rh2 1 1.65190673 1.65190673 4.32658132 1 Te Te3 1 0.00000000 0.00000000 2.82210574 1 [/CIF]
NiRh2Te
P4/mmm
123
tetragonal
4/mmm
10,568.576591
false
[CIF] data_V2SiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01476874 _cell_length_b 3.01476874 _cell_length_c 6.94592342 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2SiSn _chemical_formula_sum 'V2 Si1 Sn1' _cell_volume 63.13032102 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 0.00000000 0.00000000 3.47296171 1 V V2 1 1.50738437 1.50738437 5.58983808 1 V V3 1 1.50738437 1.50738437 1.35608534 1 [/CIF]
SiSnV2
P4/mmm
123
tetragonal
4/mmm
6,541.078164
false
[CIF] data_Zn3As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86809178 _cell_length_b 4.86809178 _cell_length_c 4.89628472 _cell_angle_alpha 97.43669514 _cell_angle_beta 97.43669514 _cell_angle_gamma 35.34928874 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn3As _chemical_formula_sum 'Zn3 As1' _cell_volume 66.51011223 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.30573498 0.00000000 2.42544899 1 Zn Zn1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 6.75224941 0.00000000 1.12455695 1 Zn Zn3 1 1.85922054 0.00000000 3.72634104 1 [/CIF]
AsZn3
C2/m
12
monoclinic
2/m
6,767.517918
false
[CIF] data_MoPdPtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51511337 _cell_length_b 4.51511337 _cell_length_c 4.51511337 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoPdPtAu _chemical_formula_sum 'Mo1 Pd1 Pt1 Au1' _cell_volume 65.08650926 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.19266728 3.19266728 3.19266728 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.59633364 1.59633364 1.59633364 1 Pt Pt3 1 4.78900092 4.78900092 4.78900092 1 [/CIF]
AuMoPdPt
F-43m
216
cubic
-43m
15,165.587977
false
[CIF] data_LaZn2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92195607 _cell_length_b 4.92195607 _cell_length_c 4.92195607 _cell_angle_alpha 124.51462707 _cell_angle_beta 113.69962464 _cell_angle_gamma 91.80176862 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZn2Pt _chemical_formula_sum 'La1 Zn2 Pt1' _cell_volume 84.48876552 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.44437842 1 Pt Pt1 1 0.00000000 2.69150052 2.05895160 1 Zn Zn2 1 0.00000000 0.00000000 6.80969801 1 Zn Zn3 1 2.29117819 -0.00000000 1.38776261 1 [/CIF]
LaPtZn2
Imm2
44
orthorhombic
mm2
9,134.168861
false
[CIF] data_Hf2SiTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.43531076 _cell_length_b 8.43531076 _cell_length_c 8.43531076 _cell_angle_alpha 21.97805392 _cell_angle_beta 21.97805392 _cell_angle_gamma 21.97805392 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2SiTc _chemical_formula_sum 'Hf2 Si1 Tc1' _cell_volume 73.69728677 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 18.56148003 1 Hf Hf1 1 -0.00000000 0.00000000 6.12382476 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 0.00000000 -0.00000000 12.34265240 1 [/CIF]
Hf2SiTc
R-3m
166
trigonal
-3m
10,904.796507
false
[CIF] data_BaSn2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74556103 _cell_length_b 5.74556103 _cell_length_c 3.50578719 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.27522663 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSn2Ru _chemical_formula_sum 'Ba1 Sn2 Ru1' _cell_volume 105.49837150 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.11767438 -0.00000000 0.00000000 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.55883719 2.41306745 1.75289359 1 Sn Sn3 1 1.55883719 -2.41306744 1.75289359 1 [/CIF]
BaRuSn2
Cmmm
65
orthorhombic
mmm
7,489.335672
false
[CIF] data_VNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60650822 _cell_length_b 5.99355561 _cell_length_c 5.99355561 _cell_angle_alpha 33.73970741 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VNi _chemical_formula_sum 'V3 Ni3' _cell_volume 71.95785197 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.03494020 1 Ni Ni1 1 1.80325411 0.00000000 1.87399985 1 Ni Ni2 1 1.80325411 -0.00000000 5.78148051 1 V V3 1 0.00000000 -0.00000000 3.83789942 1 V V4 1 0.00000000 -0.00000000 7.52722930 1 V V5 1 1.80325411 0.00000000 9.62260755 1 [/CIF]
Ni3V3
Amm2
38
orthorhombic
mm2
7,590.004077
false