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_NaCaTcPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78445102 _cell_length_b 4.78445102 _cell_length_c 4.78445102 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCaTcPt _chemical_formula_sum 'Na1 Ca1 Tc1 Pt1' _cell_volume 77.44285241 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69155888 1.69155888 1.69155888 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 5.07467664 5.07467664 5.07467664 1 Tc Tc3 1 3.38311776 3.38311776 3.38311776 1 [/CIF]
CaNaPtTc
F-43m
216
cubic
-43m
7,656.080433
false
[CIF] data_BeRe2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94128185 _cell_length_b 2.94128185 _cell_length_c 6.67807517 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeRe2Ag _chemical_formula_sum 'Be1 Re2 Ag1' _cell_volume 57.77295602 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47064093 1.47064093 3.59905806 1 Be Be1 1 0.00000000 0.00000000 5.15739384 1 Re Re2 1 1.47064093 1.47064093 6.55117571 1 Re Re3 1 0.00000000 0.00000000 1.38756024 1 [/CIF]
AgBeRe2
P4mm
99
tetragonal
4mm
14,063.542743
false
[CIF] data_MgNbCrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50203390 _cell_length_b 4.50203390 _cell_length_c 4.50203390 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNbCrAu _chemical_formula_sum 'Mg1 Nb1 Cr1 Au1' _cell_volume 64.52251465 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.77512805 4.77512805 4.77512805 1 Cr Cr1 1 3.18341870 3.18341870 3.18341870 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 1.59170935 1.59170935 1.59170935 1 [/CIF]
AuCrMgNb
F-43m
216
cubic
-43m
9,423.785121
false
[CIF] data_Zn2NiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22394261 _cell_length_b 4.22394261 _cell_length_c 4.22394261 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2NiIr _chemical_formula_sum 'Zn2 Ni1 Ir1' _cell_volume 53.28917878 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.48016769 4.48016769 4.48016769 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 1.49338923 1.49338923 1.49338923 1 Zn Zn3 1 2.98677846 2.98677846 2.98677846 1 [/CIF]
IrNiZn2
F-43m
216
cubic
-43m
11,893.195284
false
[CIF] data_Ba2MnBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43412276 _cell_length_b 4.43412276 _cell_length_c 7.79313516 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2MnBi _chemical_formula_sum 'Ba2 Mn1 Bi1' _cell_volume 153.22429560 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 2.21706138 2.21706138 2.01038978 1 Ba Ba1 1 2.21706138 2.21706138 5.78274538 1 Bi Bi2 1 0.00000000 0.00000000 3.89656758 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2BiMn
P4/mmm
123
tetragonal
4/mmm
5,836.676107
false
[CIF] data_LiCo2CuO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64180262 _cell_length_b 6.64180262 _cell_length_c 5.79731000 _cell_angle_alpha 104.18536738 _cell_angle_beta 104.18536738 _cell_angle_gamma 24.49235182 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCo2CuO6 _chemical_formula_sum 'Li1 Co2 Cu1 O6' _cell_volume 102.63487701 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.06849500 -0.00000000 0.90979559 1 Co Co1 1 11.51043640 -0.00000000 5.57343944 1 Co Co2 1 3.43872172 -0.00000000 3.69627399 1 Cu Cu3 1 8.09398573 -0.00000000 1.96127358 1 O O4 1 6.13162637 -0.00000000 1.16526838 1 O O5 1 1.62340793 -0.00000000 3.21377602 1 O O6 1 9.71709433 -0.00000000 4.98755586 1 O O7 1 1.75777056 -0.00000000 0.69869747 1 O O8 1 10.15197233 -0.00000000 2.44359758 1 O O9 1 5.22902913 -0.00000000 4.34603980 1 [/CIF]
Co2CuLiO6
Cm
8
monoclinic
m
4,600.521272
false
[CIF] data_ZnCuIrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29590420 _cell_length_b 4.29590420 _cell_length_c 4.29590420 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCuIrRh _chemical_formula_sum 'Zn1 Cu1 Ir1 Rh1' _cell_volume 56.05944132 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 3.03766299 3.03766299 3.03766299 1 Rh Rh2 1 1.51883149 1.51883150 1.51883150 1 Zn Zn3 1 4.55649449 4.55649448 4.55649448 1 [/CIF]
CuIrRhZn
F-43m
216
cubic
-43m
12,560.758433
false
[CIF] data_Zn2CdPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97996645 _cell_length_b 2.97996645 _cell_length_c 7.49113758 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.39310398 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CdPd _chemical_formula_sum 'Zn2 Cd1 Pd1' _cell_volume 66.46478342 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.74556879 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 2.06269287 0.00000000 1.62192463 1 Zn Zn3 1 2.06269287 0.00000000 5.86921295 1 [/CIF]
CdPdZn2
Cmmm
65
orthorhombic
mmm
8,734.091695
false
[CIF] data_KLiZnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75953553 _cell_length_b 4.75953553 _cell_length_c 4.75953553 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiZnRh _chemical_formula_sum 'K1 Li1 Zn1 Rh1' _cell_volume 76.23926878 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68274993 1.68274992 1.68274992 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 3.36549985 3.36549985 3.36549985 1 Zn Zn3 1 5.04824978 5.04824978 5.04824978 1 [/CIF]
KLiRhZn
F-43m
216
cubic
-43m
4,668.128499
false
[CIF] data_CrB2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02748133 _cell_length_b 4.02748133 _cell_length_c 3.04858667 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 103.59918491 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrB2Te _chemical_formula_sum 'Cr1 B2 Te1' _cell_volume 48.06356189 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.24532539 -1.58250312 1.52429334 1 B B1 1 1.24532539 1.58250313 1.52429334 1 Cr Cr2 1 -0.00000000 0.00000000 0.00000000 1 Te Te3 1 2.49065078 0.00000000 0.00000000 1 [/CIF]
B2CrTe
Cmmm
65
orthorhombic
mmm
6,951.846738
false
[CIF] data_YBiRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74208326 _cell_length_b 4.74208326 _cell_length_c 4.74208326 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBiRu2 _chemical_formula_sum 'Y1 Bi1 Ru2' _cell_volume 75.40367743 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 3.35315923 3.35315923 3.35315923 1 Ru Ru1 1 1.67657962 1.67657962 1.67657962 1 Ru Ru2 1 5.02973885 5.02973885 5.02973885 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiRu2Y
Fm-3m
225
cubic
m-3m
11,011.573318
false
[CIF] data_SrBe2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56081829 _cell_length_b 4.56081829 _cell_length_c 3.04645913 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 101.98225971 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBe2Ru _chemical_formula_sum 'Sr1 Be2 Ru1' _cell_volume 61.98888854 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 1.43538232 1.77198856 1.52322956 1 Be Be1 1 1.43538232 -1.77198856 1.52322956 1 Ru Ru2 1 2.87076464 -0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2RuSr
Cmmm
65
orthorhombic
mmm
5,537.489306
false
[CIF] data_InSnAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00253930 _cell_length_b 5.00253930 _cell_length_c 5.00253930 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InSnAs _chemical_formula_sum 'In1 Sn1 As1' _cell_volume 88.52308261 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 3.53732946 3.53732946 3.53732946 1 Sn Sn2 1 5.30599419 5.30599419 5.30599419 1 [/CIF]
AsInSn
F-43m
216
cubic
-43m
5,785.978027
false
[CIF] data_CaCr2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13665664 _cell_length_b 5.13665664 _cell_length_c 2.93043994 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.34105871 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCr2Cl _chemical_formula_sum 'Ca1 Cr2 Cl1' _cell_volume 69.88029592 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 2.74701744 -0.00000000 0.00000000 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Cr Cr2 1 1.37350872 2.17020372 1.46521997 1 Cr Cr3 1 1.37350872 -2.17020371 1.46521997 1 [/CIF]
CaClCr2
Cmmm
65
orthorhombic
mmm
4,265.941966
false
[CIF] data_MgFeRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45548816 _cell_length_b 4.45548816 _cell_length_c 4.45548816 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgFeRh3 _chemical_formula_sum 'Mg1 Fe1 Rh3' _cell_volume 88.44756513 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 2.22774408 0.00000000 2.22774408 1 Rh Rh2 1 2.22774408 2.22774408 0.00000000 1 Rh Rh3 1 0.00000000 2.22774408 2.22774408 1 Fe Fe4 1 2.22774408 2.22774408 2.22774408 1 [/CIF]
FeMgRh3
Pm-3m
221
cubic
m-3m
7,300.687294
false
[CIF] data_Co2TeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14268438 _cell_length_b 3.14268438 _cell_length_c 6.33650654 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2TeSe _chemical_formula_sum 'Co2 Te1 Se1' _cell_volume 62.58228578 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57134219 1.57134219 4.97844650 1 Co Co1 1 1.57134219 1.57134219 1.35806004 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 3.16825327 1 [/CIF]
Co2SeTe
P4/mmm
123
tetragonal
4/mmm
8,608.229759
false
[CIF] data_CaTaRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18635850 _cell_length_b 3.18635850 _cell_length_c 7.35621445 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTaRh2 _chemical_formula_sum 'Ca1 Ta1 Rh2' _cell_volume 74.68676607 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 1.59317925 1.59317925 2.20511650 1 Rh Rh2 1 1.59317925 1.59317925 5.15109795 1 Ta Ta3 1 0.00000000 0.00000000 3.67810723 1 [/CIF]
CaRh2Ta
P4/mmm
123
tetragonal
4/mmm
9,490.027789
false
[CIF] data_BaReTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28506589 _cell_length_b 5.28506589 _cell_length_c 5.28506589 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaReTe2 _chemical_formula_sum 'Ba1 Re1 Te2' _cell_volume 104.38454934 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 3.73710593 3.73710593 3.73710593 1 Te Te2 1 1.86855297 1.86855297 1.86855296 1 Te Te3 1 5.60565890 5.60565890 5.60565889 1 [/CIF]
BaReTe2
Fm-3m
225
cubic
m-3m
9,206.443121
false
[CIF] data_NbSbMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51007149 _cell_length_b 4.51007149 _cell_length_c 3.42583557 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSbMo2 _chemical_formula_sum 'Nb1 Sb1 Mo2' _cell_volume 69.68404721 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 2.25503574 0.00000000 1.71291778 1 Mo Mo1 1 0.00000000 2.25503574 1.71291778 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 2.25503574 2.25503574 0.00000000 1 [/CIF]
Mo2NbSb
P4/mmm
123
tetragonal
4/mmm
9,688.768017
false
[CIF] data_Ir3C2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47814411 _cell_length_b 3.47814411 _cell_length_c 5.65054683 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ir3C2 _chemical_formula_sum 'Ir3 C2' _cell_volume 59.19925698 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.73907206 1.00405372 1.38900437 1 C C1 1 -0.00000000 2.00810744 4.26154246 1 Ir Ir2 1 0.00000000 0.00000000 0.00000000 1 Ir Ir3 1 1.73907206 1.00405372 3.79685256 1 Ir Ir4 1 -0.00000000 2.00810744 1.85369427 1 [/CIF]
C2Ir3
P-3m1
164
trigonal
-3m
16,848.859874
false
[CIF] data_MnFeRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46657851 _cell_length_b 4.46657851 _cell_length_c 2.61256189 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.43016882 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnFeRu2 _chemical_formula_sum 'Mn1 Fe1 Ru2' _cell_volume 49.44812890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.61180554 -0.00000000 0.00000000 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 1.30590277 1.81168399 1.30628094 1 Ru Ru3 1 1.30590277 -1.81168399 1.30628094 1 [/CIF]
FeMnRu2
Cmmm
65
orthorhombic
mmm
10,508.404515
false
[CIF] data_CaGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82007471 _cell_length_b 4.82007471 _cell_length_c 4.82007471 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGe _chemical_formula_sum 'Ca1 Ge1' _cell_volume 79.18561794 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 5.11246127 5.11246127 5.11246127 1 [/CIF]
CaGe
F-43m
216
cubic
-43m
2,363.720173
false
[CIF] data_Hg3Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.12656387 _cell_length_b 6.12656387 _cell_length_c 6.27549529 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.70380942 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg3Sb _chemical_formula_sum 'Hg6 Sb2' _cell_volume 235.54621802 _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 Hg Hg0 1 4.34331786 -4.02908536 4.70662147 1 Hg Hg1 1 4.34331786 4.02908536 1.56887382 1 Hg Hg2 1 6.61358413 -1.96999980 4.70662147 1 Hg Hg3 1 2.07305159 1.96999980 1.56887382 1 Hg Hg4 1 2.07305159 -1.96999980 4.70662147 1 Hg Hg5 1 6.61358413 1.96999980 1.56887382 1 Sb Sb6 1 4.34331786 -0.09133117 1.56887382 1 Sb Sb7 1 4.34331786 0.09133117 4.70662147 1 [/CIF]
Hg6Sb2
Cmcm
63
orthorhombic
mmm
10,201.393518
false
[CIF] data_La2BRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96975467 _cell_length_b 4.96975467 _cell_length_c 4.96975467 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2BRu _chemical_formula_sum 'La2 B1 Ru1' _cell_volume 86.79403002 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75707361 1.75707361 1.75707361 1 La La2 1 5.27122084 5.27122084 5.27122084 1 Ru Ru3 1 3.51414723 3.51414723 3.51414723 1 [/CIF]
BLa2Ru
Fm-3m
225
cubic
m-3m
7,455.572033
false
[CIF] data_Ta2TePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16405897 _cell_length_b 3.16405897 _cell_length_c 7.28973267 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2TePt _chemical_formula_sum 'Ta2 Te1 Pt1' _cell_volume 72.97947590 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 0.00000000 0.00000000 3.64486634 1 Ta Ta1 1 1.58202949 1.58202949 5.44118396 1 Ta Ta2 1 1.58202949 1.58202949 1.84854871 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtTa2Te
P4/mmm
123
tetragonal
4/mmm
15,576.590837
false
[CIF] data_KZnAgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93500780 _cell_length_b 4.93500780 _cell_length_c 4.93500780 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZnAgMo _chemical_formula_sum 'K1 Zn1 Ag1 Mo1' _cell_volume 84.98622372 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74478874 1.74478874 1.74478874 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 5.23436622 5.23436622 5.23436622 1 Zn Zn3 1 3.48957748 3.48957748 3.48957748 1 [/CIF]
AgKMoZn
F-43m
216
cubic
-43m
6,023.976185
false
[CIF] data_BaB2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41581603 _cell_length_b 3.41581603 _cell_length_c 6.02419261 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.38695332 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaB2Pt _chemical_formula_sum 'Ba1 B2 Pt1' _cell_volume 67.07744912 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.02252152 0.00000000 3.97117711 1 B B1 1 2.02252152 0.00000000 2.05301550 1 Ba Ba2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 0.00000000 0.00000000 3.01209630 1 [/CIF]
B2BaPt
Cmmm
65
orthorhombic
mmm
8,764.281216
false
[CIF] data_Hg4AsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76250940 _cell_length_b 5.76250940 _cell_length_c 5.76250940 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg4AsPd _chemical_formula_sum 'Hg4 As1 Pd1' _cell_volume 135.30689922 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 5.09161363 5.09161363 3.05780531 1 Hg Hg2 1 5.09161363 3.05780531 5.09161363 1 Hg Hg3 1 3.05780531 5.09161363 5.09161363 1 Hg Hg4 1 3.05780531 3.05780531 3.05780531 1 Pd Pd5 1 6.11206420 6.11206420 6.11206421 1 [/CIF]
AsHg4Pd
F-43m
216
cubic
-43m
12,072.369895
false
[CIF] data_TlNi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23249685 _cell_length_b 3.23249685 _cell_length_c 5.77171466 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlNi2Pt _chemical_formula_sum 'Tl1 Ni2 Pt1' _cell_volume 60.30885360 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61624842 1.61624842 4.46626997 1 Ni Ni1 1 1.61624842 1.61624842 1.30544469 1 Pt Pt2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 2.88585733 1 [/CIF]
Ni2PtTl
P4/mmm
123
tetragonal
4/mmm
14,231.018723
false
[CIF] data_NaMn3Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81189185 _cell_length_b 4.81189185 _cell_length_c 4.81189185 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMn3Al _chemical_formula_sum 'Na1 Mn3 Al1' _cell_volume 111.41600275 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 2.40594593 0.00000000 2.40594593 1 Mn Mn2 1 2.40594593 2.40594593 0.00000000 1 Mn Mn3 1 0.00000000 2.40594593 2.40594593 1 Al Al4 1 2.40594593 2.40594593 2.40594593 1 [/CIF]
AlMn3Na
Pm-3m
221
cubic
m-3m
3,201.152528
false
[CIF] data_Fe2CuMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55486897 _cell_length_b 4.55486897 _cell_length_c 4.55486897 _cell_angle_alpha 133.06149624 _cell_angle_beta 133.06149624 _cell_angle_gamma 68.55758822 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2CuMo _chemical_formula_sum 'Fe2 Cu1 Mo1' _cell_volume 49.53994599 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 3.76371923 1 Fe Fe1 1 0.00000000 1.81400784 1.88185962 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Mo Mo3 1 1.81400784 -0.00000000 1.88185962 1 [/CIF]
CuFe2Mo
I-4m2
119
tetragonal
-42m
9,090.27137
false
[CIF] data_ScCo2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22458947 _cell_length_b 3.22458947 _cell_length_c 5.86244793 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCo2Au _chemical_formula_sum 'Sc1 Co2 Au1' _cell_volume 60.95760021 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61229474 1.61229474 4.49489506 1 Co Co1 1 0.00000000 0.00000000 0.24592400 1 Co Co2 1 1.61229474 1.61229474 1.24610816 1 Sc Sc3 1 0.00000000 0.00000000 2.80674461 1 [/CIF]
AuCo2Sc
P4mm
99
tetragonal
4mm
9,800.967788
false
[CIF] data_AsPb2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30622250 _cell_length_b 4.49895160 _cell_length_c 6.65301696 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsPb2Br _chemical_formula_sum 'As1 Pb2 Br1' _cell_volume 128.89213497 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.23028921 1 Br Br1 1 2.15311125 2.24947580 5.72436810 1 Pb Pb2 1 0.00000000 0.00000000 6.16819551 1 Pb Pb3 1 2.15311125 2.24947580 2.50968958 1 [/CIF]
AsBrPb2
Pmm2
25
orthorhombic
mm2
7,333.429202
false
[CIF] data_YMnNb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29998144 _cell_length_b 4.46819379 _cell_length_c 4.97151113 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMnNb2 _chemical_formula_sum 'Y1 Mn1 Nb2' _cell_volume 73.30471574 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 0.00000000 2.23409689 2.48575556 1 Nb Nb2 1 1.64999072 0.00000000 2.48575556 1 Y Y3 1 1.64999072 2.23409689 0.00000000 1 [/CIF]
MnNb2Y
Pmmm
47
orthorhombic
mmm
7,467.565336
false
[CIF] data_HfTiFeTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41971085 _cell_length_b 4.41971085 _cell_length_c 4.41971085 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTiFeTc _chemical_formula_sum 'Hf1 Ti1 Fe1 Tc1' _cell_volume 61.04731585 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 4.68781126 4.68781126 4.68781126 1 Hf Hf1 1 3.12520751 3.12520751 3.12520751 1 Tc Tc2 1 1.56260375 1.56260375 1.56260376 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeHfTcTi
F-43m
216
cubic
-43m
10,366.468139
false
[CIF] data_TiBeTlFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35476476 _cell_length_b 4.35476476 _cell_length_c 4.35476476 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBeTlFe _chemical_formula_sum 'Ti1 Be1 Tl1 Fe1' _cell_volume 58.39546226 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53964185 1.53964185 1.53964185 1 Ti Ti2 1 4.61892554 4.61892554 4.61892554 1 Tl Tl3 1 3.07928369 3.07928369 3.07928369 1 [/CIF]
BeFeTiTl
F-43m
216
cubic
-43m
9,017.29932
false
[CIF] data_Ba2TlOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54458236 _cell_length_b 5.54458236 _cell_length_c 4.15585666 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.38137332 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TlOs _chemical_formula_sum 'Ba2 Tl1 Os1' _cell_volume 127.72385117 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93653303 -1.98379390 2.07792833 1 Ba Ba1 1 1.93653303 1.98379390 2.07792833 1 Os Os2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.87306605 0.00000000 0.00000000 1 [/CIF]
Ba2OsTl
Cmmm
65
orthorhombic
mmm
8,701.150861
false
[CIF] data_AlCrRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21137494 _cell_length_b 4.21137494 _cell_length_c 2.94488531 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.71422940 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCrRu2 _chemical_formula_sum 'Al1 Cr1 Ru2' _cell_volume 52.22548220 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 2.95927337 0.00000000 0.00000000 1 Ru Ru2 1 1.47963669 -1.49819725 1.47244266 1 Ru Ru3 1 1.47963669 1.49819725 1.47244266 1 [/CIF]
AlCrRu2
Cmmm
65
orthorhombic
mmm
8,938.296049
false
[CIF] data_BaYTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05773266 _cell_length_b 5.05773266 _cell_length_c 5.05773266 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYTc2 _chemical_formula_sum 'Ba1 Y1 Tc2' _cell_volume 91.48557271 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.57635706 3.57635706 3.57635706 1 Tc Tc1 1 5.36453559 5.36453559 5.36453559 1 Tc Tc2 1 1.78817853 1.78817853 1.78817853 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaTc2Y
Fm-3m
225
cubic
m-3m
7,696.773194
false
[CIF] data_YGaW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45428573 _cell_length_b 3.45428573 _cell_length_c 6.46459463 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YGaW2 _chemical_formula_sum 'Y1 Ga1 W2' _cell_volume 77.13612410 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 1.72714286 1.72714286 1.20405583 1 W W2 1 1.72714286 1.72714286 5.26053880 1 Y Y3 1 0.00000000 0.00000000 3.23229731 1 [/CIF]
GaW2Y
P4/mmm
123
tetragonal
4/mmm
11,330.304202
false
[CIF] data_BeCu2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33466844 _cell_length_b 4.33466844 _cell_length_c 4.33466844 _cell_angle_alpha 131.49644835 _cell_angle_beta 131.49644835 _cell_angle_gamma 71.02550421 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCu2Si _chemical_formula_sum 'Be1 Cu2 Si1' _cell_volume 44.73977013 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 0.00000000 1.78045254 1.76418026 1 Cu Cu2 1 1.78045254 0.00000000 1.76418026 1 Si Si3 1 0.00000000 0.00000000 3.52836052 1 [/CIF]
BeCu2Si
I4/mmm
139
tetragonal
4/mmm
6,094.265726
false
[CIF] data_NiRu2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96945204 _cell_length_b 2.96945204 _cell_length_c 6.43411427 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiRu2Cl _chemical_formula_sum 'Ni1 Ru2 Cl1' _cell_volume 56.73373821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 0.00000000 0.00000000 3.21705714 1 Ru Ru2 1 1.48472602 1.48472602 4.55664365 1 Ru Ru3 1 1.48472602 1.48472602 1.87747062 1 [/CIF]
ClNiRu2
P4/mmm
123
tetragonal
4/mmm
8,672.002897
false
[CIF] data_NbFeCoSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44020827 _cell_length_b 4.44020827 _cell_length_c 4.44020827 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbFeCoSn _chemical_formula_sum 'Nb1 Fe1 Co1 Sn1' _cell_volume 61.90062398 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.13970138 3.13970138 3.13970138 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Co Co2 1 4.70955207 4.70955207 4.70955207 1 Sn Sn3 1 1.56985069 1.56985069 1.56985069 1 [/CIF]
CoFeNbSn
F-43m
216
cubic
-43m
8,755.823578
false
[CIF] data_MgRu2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56125545 _cell_length_b 4.56125545 _cell_length_c 4.56125545 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgRu2Pb _chemical_formula_sum 'Mg1 Ru2 Pb1' _cell_volume 67.10242082 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 3.22529466 3.22529466 3.22529466 1 Ru Ru2 1 1.61264733 1.61264733 1.61264733 1 Ru Ru3 1 4.83794199 4.83794199 4.83794199 1 [/CIF]
MgPbRu2
Fm-3m
225
cubic
m-3m
10,731.124969
false
[CIF] data_Gd2BeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89641749 _cell_length_b 4.89641749 _cell_length_c 4.89641749 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd2BeIr _chemical_formula_sum 'Gd2 Be1 Ir1' _cell_volume 83.00807125 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Gd Gd1 1 5.19343501 5.19343501 5.19343501 1 Gd Gd2 1 1.73114500 1.73114500 1.73114500 1 Ir Ir3 1 3.46229001 3.46229001 3.46229001 1 [/CIF]
BeGd2Ir
Fm-3m
225
cubic
m-3m
10,316.929927
false
[CIF] data_TlHgP4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11326474 _cell_length_b 6.11326474 _cell_length_c 6.11326474 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlHgP4 _chemical_formula_sum 'Tl1 Hg1 P4' _cell_volume 161.54912584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 2.95088053 5.69458137 5.69458137 1 P P2 1 5.69458137 5.69458137 2.95088053 1 P P3 1 5.69458137 2.95088053 5.69458137 1 P P4 1 2.95088053 2.95088053 2.95088053 1 Tl Tl5 1 6.48409643 6.48409643 6.48409643 1 [/CIF]
HgP4Tl
F-43m
216
cubic
-43m
5,436.157877
false
[CIF] data_HfFeRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90741321 _cell_length_b 2.90741321 _cell_length_c 6.46288121 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfFeRe _chemical_formula_sum 'Hf1 Fe1 Re1' _cell_volume 47.31189282 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.38142325 1 Hf Hf1 1 -0.00000000 1.67859580 2.06126022 1 Re Re2 1 1.45370660 0.83929790 4.48307895 1 [/CIF]
FeHfRe
P3m1
156
trigonal
3m
14,760.060944
false
[CIF] data_Nb4CrP8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61639422 _cell_length_b 6.61639422 _cell_length_c 11.09530481 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4CrP8 _chemical_formula_sum 'Nb8 Cr2 P16' _cell_volume 420.64198333 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 5.54765241 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 0.00000000 0.00000000 8.32147861 1 Nb Nb3 1 0.00000000 0.00000000 2.77382620 1 Nb Nb4 1 -1.64510127 2.87017732 8.32147861 1 Nb Nb5 1 1.64510127 2.87017732 8.32147861 1 Nb Nb6 1 -0.00000000 5.71957630 8.32147861 1 Nb Nb7 1 4.95329838 2.85978815 2.77382620 1 Nb Nb8 1 1.66309584 2.85978815 2.77382620 1 Nb Nb9 1 3.30819711 0.01038917 2.77382620 1 P P10 1 3.30819711 1.90998849 6.67305794 1 P P11 1 -0.00000000 3.81997698 1.12540553 1 P P12 1 0.00000000 3.81997698 4.42224687 1 P P13 1 3.30819711 1.90998849 9.96989928 1 P P14 1 1.57293065 4.72810892 10.00918542 1 P P15 1 -1.57293065 4.72810892 10.00918542 1 P P16 1 0.00000000 2.00371312 10.00918542 1 P P17 1 1.73526646 1.00185656 4.46153302 1 P P18 1 4.88112776 1.00185656 4.46153302 1 P P19 1 3.30819711 3.72625236 4.46153302 1 P P20 1 4.88112776 1.00185656 1.08611939 1 P P21 1 1.73526646 1.00185656 1.08611939 1 P P22 1 3.30819711 3.72625236 1.08611939 1 P P23 1 -1.57293065 4.72810892 6.63377179 1 P P24 1 1.57293065 4.72810892 6.63377179 1 P P25 1 0.00000000 2.00371312 6.63377179 1 [/CIF]
Cr2Nb8P16
P6_3/mmc
194
hexagonal
6/mmm
5,300.981923
false
[CIF] data_Ti2BePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90732537 _cell_length_b 4.90732537 _cell_length_c 3.03010872 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.77566908 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2BePb _chemical_formula_sum 'Ti2 Be1 Pb1' _cell_volume 68.22578841 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.78745163 0.00000000 0.00000000 1 Ti Ti2 1 1.39372581 2.01940311 1.51505436 1 Ti Ti3 1 1.39372581 -2.01940311 1.51505436 1 [/CIF]
BePbTi2
Cmmm
65
orthorhombic
mmm
7,592.518067
false
[CIF] data_BaTa2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14165145 _cell_length_b 5.43108393 _cell_length_c 5.58187376 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTa2Hg _chemical_formula_sum 'Ba1 Ta2 Hg1' _cell_volume 95.24112685 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 1.57082572 2.71554196 0.00000000 1 Ta Ta2 1 1.57082572 0.00000000 2.79093688 1 Ta Ta3 1 0.00000000 2.71554196 2.79093688 1 [/CIF]
BaHgTa2
Pmmm
47
orthorhombic
mmm
12,201.309095
false
[CIF] data_RbGaPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90447425 _cell_length_b 4.90447425 _cell_length_c 4.90447425 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbGaPd2 _chemical_formula_sum 'Rb1 Ga1 Pd2' _cell_volume 83.41850036 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.20198050 5.20198050 5.20198050 1 Pd Pd2 1 1.73399350 1.73399350 1.73399350 1 Rb Rb3 1 3.46798700 3.46798700 3.46798700 1 [/CIF]
GaPd2Rb
Fm-3m
225
cubic
m-3m
7,326.066981
false
[CIF] data_YZrPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37371840 _cell_length_b 5.37371840 _cell_length_c 4.91727621 _cell_angle_alpha 100.42516414 _cell_angle_beta 100.42516414 _cell_angle_gamma 36.07027421 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZrPd2 _chemical_formula_sum 'Y1 Zr1 Pd2' _cell_volume 82.07586942 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 -0.87008096 0.00000000 4.58260028 1 Pd Pd1 1 7.32872564 -0.00000000 1.36981921 1 Y Y2 1 4.60012834 0.00000000 2.12721226 1 Zr Zr3 1 1.93088967 -0.00000000 3.98890999 1 [/CIF]
Pd2YZr
Cm
8
monoclinic
m
7,950.470614
false
[CIF] data_ZrCoOs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43768135 _cell_length_b 4.43768135 _cell_length_c 4.43768135 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCoOs3 _chemical_formula_sum 'Zr1 Co1 Os3' _cell_volume 87.39132878 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 0.00000000 2.21884068 0.00000000 1 Os Os2 1 0.00000000 0.00000000 2.21884068 1 Os Os3 1 2.21884068 0.00000000 0.00000000 1 Zr Zr4 1 2.21884068 2.21884068 2.21884068 1 [/CIF]
CoOs3Zr
Pm-3m
221
cubic
m-3m
13,696.953062
false
[CIF] data_Na2CoGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.00177764 _cell_length_b 10.00177764 _cell_length_c 10.00177764 _cell_angle_alpha 16.71849649 _cell_angle_beta 16.71849649 _cell_angle_gamma 16.71849649 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CoGe _chemical_formula_sum 'Na2 Co1 Ge1' _cell_volume 72.21387312 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Ge Ge1 1 0.00000000 0.00000000 14.78976667 1 Na Na2 1 -0.00000000 0.00000000 22.18014239 1 Na Na3 1 -0.00000000 -0.00000000 7.39939096 1 [/CIF]
CoGeNa2
R-3m
166
trigonal
-3m
4,082.778521
false
[CIF] data_CaZrTa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02471745 _cell_length_b 3.02471745 _cell_length_c 10.34917872 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.10168904 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZrTa2 _chemical_formula_sum 'Ca1 Zr1 Ta2' _cell_volume 89.99753933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.43272939 1 Ta Ta1 1 1.77571209 -0.00000000 10.01565822 1 Ta Ta2 1 0.00000000 0.00000000 7.88284638 1 Zr Zr3 1 1.77571209 -0.00000000 5.54171281 1 [/CIF]
CaTa2Zr
Cmm2
35
orthorhombic
mm2
9,099.961556
false
[CIF] data_TiMn2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21150586 _cell_length_b 3.21150586 _cell_length_c 7.14219359 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMn2Bi _chemical_formula_sum 'Ti1 Mn2 Bi1' _cell_volume 73.66294111 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60575293 1.60575293 5.39797628 1 Mn Mn1 1 0.00000000 0.00000000 0.40204893 1 Mn Mn2 1 1.60575293 1.60575293 1.74491967 1 Ti Ti3 1 0.00000000 0.00000000 3.16834550 1 [/CIF]
BiMn2Ti
P4mm
99
tetragonal
4mm
8,266.918577
false
[CIF] data_AlZnIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58052377 _cell_length_b 4.58052377 _cell_length_c 4.58052377 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlZnIn _chemical_formula_sum 'Al1 Zn1 In1' _cell_volume 67.95640972 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 4.85837913 4.85837913 4.85837913 1 Zn Zn2 1 3.23891942 3.23891942 3.23891942 1 [/CIF]
AlInZn
F-43m
216
cubic
-43m
5,062.50579
false
[CIF] data_La2TiRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15203991 _cell_length_b 5.15203991 _cell_length_c 5.15203991 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TiRe _chemical_formula_sum 'La2 Ti1 Re1' _cell_volume 96.69915052 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.46456354 5.46456354 5.46456354 1 La La1 1 1.82152118 1.82152118 1.82152118 1 Re Re2 1 3.64304236 3.64304236 3.64304236 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2ReTi
Fm-3m
225
cubic
m-3m
8,790.200698
false
[CIF] data_SiOs2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69475921 _cell_length_b 4.69475921 _cell_length_c 4.69475921 _cell_angle_alpha 132.40206999 _cell_angle_beta 132.40206999 _cell_angle_gamma 69.59473756 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiOs2Ru _chemical_formula_sum 'Si1 Os2 Ru1' _cell_volume 55.34582959 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 1.89447040 -0.00000000 1.92761043 1 Os Os1 1 -0.00000000 1.89447040 1.92761043 1 Ru Ru2 1 0.00000000 -0.00000000 3.85522085 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Os2RuSi
I4/mmm
139
tetragonal
4/mmm
15,289.976734
false
[CIF] data_CaPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93408157 _cell_length_b 5.93408157 _cell_length_c 7.28833272 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPt2 _chemical_formula_sum 'Ca4 Pt8' _cell_volume 222.26232163 _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 Ca Ca0 1 4.41286178 0.87827666 0.12249151 1 Ca Ca1 1 0.00000000 0.00000000 4.46828496 1 Ca Ca2 1 2.96704082 3.38251203 0.12249151 1 Ca Ca3 1 1.52121985 0.87827666 0.12249151 1 Pt Pt4 1 -1.37737884 4.22127364 2.32990972 1 Pt Pt5 1 0.00000003 3.42604358 7.15841615 1 Pt Pt6 1 1.47443546 2.57477788 4.93962953 1 Pt Pt7 1 2.96704082 1.71302178 2.63887016 1 Pt Pt8 1 -1.47443540 2.57477788 4.93962953 1 Pt Pt9 1 0.00000003 1.83558345 2.32990972 1 Pt Pt10 1 0.00000003 5.12857497 4.93962953 1 Pt Pt11 1 1.37737890 4.22127364 2.32990972 1 [/CIF]
Ca4Pt8
P3m1
156
trigonal
3m
12,857.605114
false
[CIF] data_CsNiF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.13381192 _cell_length_b 8.13381192 _cell_length_c 8.13381192 _cell_angle_alpha 43.54656492 _cell_angle_beta 43.54656492 _cell_angle_gamma 43.54656492 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsNiF3 _chemical_formula_sum 'Cs3 Ni3 F9' _cell_volume 231.77031122 _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 Cs Cs0 1 0.00000000 -0.00000000 11.02490739 1 Cs Cs1 1 -0.00000000 -0.00000000 15.76227092 1 Cs Cs2 1 0.00000000 -0.00000000 6.28754386 1 F F3 1 0.00000000 -1.74193168 3.67496913 1 F F4 1 1.50855709 0.87096584 3.67496913 1 F F5 1 -1.50855709 0.87096584 3.67496913 1 F F6 1 1.68403447 0.97227775 8.65156117 1 F F7 1 -1.68403447 0.97227775 8.65156117 1 F F8 1 0.00000000 -1.94455551 8.65156117 1 F F9 1 0.00000000 1.94455551 13.39825361 1 F F10 1 1.68403447 -0.97227775 13.39825361 1 F F11 1 -1.68403447 -0.97227775 13.39825361 1 Ni Ni12 1 0.00000000 -0.00000000 2.64132387 1 Ni Ni13 1 0.00000000 -0.00000000 -0.00000000 1 Ni Ni14 1 0.00000000 -0.00000000 19.40849091 1 [/CIF]
Cs3F9Ni3
R-3m
166
trigonal
-3m
5,343.223013
false
[CIF] data_MnIr2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72408998 _cell_length_b 4.30336490 _cell_length_c 4.71522258 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnIr2Os _chemical_formula_sum 'Mn1 Ir2 Os1' _cell_volume 55.27539062 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.36204499 0.00000000 0.21629636 1 Ir Ir1 1 1.36204499 2.15168245 3.31556571 1 Mn Mn2 1 0.00000000 0.00000000 2.52746242 1 Os Os3 1 0.00000000 2.15168245 1.01350937 1 [/CIF]
Ir2MnOs
Pmm2
25
orthorhombic
mm2
18,914.001964
false
[CIF] data_HfFeRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74055507 _cell_length_b 2.74055507 _cell_length_c 8.07013468 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfFeRe2 _chemical_formula_sum 'Hf1 Fe1 Re2' _cell_volume 60.61189321 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 0.00000000 0.00000000 4.03506734 1 Re Re2 1 1.37027754 1.37027754 6.35213487 1 Re Re3 1 1.37027754 1.37027754 1.71799981 1 [/CIF]
FeHfRe2
P4/mmm
123
tetragonal
4/mmm
16,622.652168
false
[CIF] data_NaNb2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75238698 _cell_length_b 3.03573133 _cell_length_c 8.55110246 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNb2Cr _chemical_formula_sum 'Na1 Nb2 Cr1' _cell_volume 71.44879978 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.27555123 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 1.37619349 1.51786566 2.63576429 1 Nb Nb3 1 1.37619349 1.51786566 5.91533817 1 [/CIF]
CrNaNb2
Pmmm
47
orthorhombic
mmm
6,061.211858
false
[CIF] data_Si2PdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33303915 _cell_length_b 4.33303915 _cell_length_c 4.33303915 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2PdPt _chemical_formula_sum 'Si2 Pd1 Pt1' _cell_volume 57.52582314 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 3.06392137 3.06392137 3.06392137 1 Si Si2 1 4.59588205 4.59588205 4.59588205 1 Si Si3 1 1.53196068 1.53196068 1.53196068 1 [/CIF]
PdPtSi2
Fm-3m
225
cubic
m-3m
10,326.386487
false
[CIF] data_ScSi2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27963374 _cell_length_b 4.27963374 _cell_length_c 3.93174738 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSi2Hg _chemical_formula_sum 'Sc1 Si2 Hg1' _cell_volume 72.01099498 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.13981687 2.13981687 0.00000000 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 0.00000000 2.13981687 1.96587369 1 Si Si3 1 2.13981687 0.00000000 1.96587369 1 [/CIF]
HgScSi2
P4/mmm
123
tetragonal
4/mmm
6,957.447534
false
[CIF] data_SrGaRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01863295 _cell_length_b 6.01863295 _cell_length_c 6.01863295 _cell_angle_alpha 146.73943634 _cell_angle_beta 146.73943634 _cell_angle_gamma 47.74974477 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrGaRh _chemical_formula_sum 'Sr1 Ga1 Rh1' _cell_volume 65.31731099 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.49377907 1 Rh Rh1 1 -0.00000000 0.00000000 4.16761326 1 Sr Sr2 1 -0.00000000 -0.00000000 7.35311899 1 [/CIF]
GaRhSr
I4mm
107
tetragonal
4mm
6,616.206251
false
[CIF] data_Be4AlCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36000872 _cell_length_b 4.36000872 _cell_length_c 4.36000872 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be4AlCr _chemical_formula_sum 'Be4 Al1 Cr1' _cell_volume 58.60667394 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Be Be1 1 3.84378787 3.84378787 2.32219559 1 Be Be2 1 3.84378787 2.32219559 3.84378787 1 Be Be3 1 2.32219559 3.84378787 3.84378787 1 Be Be4 1 2.32219559 2.32219559 2.32219559 1 Cr Cr5 1 4.62448760 4.62448760 4.62448760 1 [/CIF]
AlBe4Cr
F-43m
216
cubic
-43m
3,259.113043
false
[CIF] data_YMgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84515462 _cell_length_b 4.84515462 _cell_length_c 4.84515462 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMgGe _chemical_formula_sum 'Y1 Mg1 Ge1' _cell_volume 80.42812160 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.42604169 3.42604169 3.42604169 1 Mg Mg1 1 0.00000000 -0.00000000 0.00000000 1 Y Y2 1 5.13906253 5.13906254 5.13906254 1 [/CIF]
GeMgY
F-43m
216
cubic
-43m
3,837.123022
false
[CIF] data_InCoNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18975010 _cell_length_b 4.18975010 _cell_length_c 4.18975010 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCoNi2 _chemical_formula_sum 'In1 Co1 Ni2' _cell_volume 52.00551044 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 2.96260071 2.96260071 2.96260071 1 Ni Ni2 1 1.48130035 1.48130035 1.48130036 1 Ni Ni3 1 4.44390107 4.44390107 4.44390107 1 [/CIF]
CoInNi2
Fm-3m
225
cubic
m-3m
9,296.053636
false
[CIF] data_MgCrBiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76579244 _cell_length_b 4.76579244 _cell_length_c 4.76579244 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCrBiPt _chemical_formula_sum 'Mg1 Cr1 Bi1 Pt1' _cell_volume 76.54033759 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68496208 1.68496207 1.68496207 1 Cr Cr1 1 3.36992415 3.36992415 3.36992415 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 5.05488622 5.05488623 5.05488623 1 [/CIF]
BiCrMgPt
F-43m
216
cubic
-43m
10,421.507196
false
[CIF] data_ScSnWAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75465439 _cell_length_b 4.75465439 _cell_length_c 4.75465439 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSnWAu _chemical_formula_sum 'Sc1 Sn1 W1 Au1' _cell_volume 76.00494759 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68102418 1.68102418 1.68102418 1 Sc Sc1 1 -0.00000000 -0.00000000 -0.00000000 1 Sn Sn2 1 5.04307254 5.04307254 5.04307254 1 W W3 1 3.36204836 3.36204836 3.36204836 1 [/CIF]
AuScSnW
F-43m
216
cubic
-43m
11,895.512779
false
[CIF] data_Ta2FeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08996816 _cell_length_b 3.08996816 _cell_length_c 7.13647644 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2FeCl _chemical_formula_sum 'Ta2 Fe1 Cl1' _cell_volume 68.13838645 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 3.44746085 1 Fe Fe1 1 1.54498408 1.54498408 5.73130965 1 Ta Ta2 1 0.00000000 0.00000000 6.91798715 1 Ta Ta3 1 1.54498408 1.54498408 1.74443352 1 [/CIF]
ClFeTa2
P4mm
99
tetragonal
4mm
11,044.375755
false
[CIF] data_TcTePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50753249 _cell_length_b 4.50753249 _cell_length_c 4.50753249 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcTePd _chemical_formula_sum 'Tc1 Te1 Pd1' _cell_volume 64.75921854 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 1.59365339 1.59365339 1.59365340 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 3.18730679 3.18730679 3.18730679 1 [/CIF]
PdTcTe
F-43m
216
cubic
-43m
8,536.807173
false
[CIF] data_HfZrHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81709411 _cell_length_b 4.81709411 _cell_length_c 4.81709411 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrHg _chemical_formula_sum 'Hf1 Zr1 Hg1' _cell_volume 79.03881039 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 5.10929987 5.10929987 5.10929987 1 Hg Hg1 1 1.70309995 1.70309996 1.70309996 1 Zr Zr2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfHgZr
F-43m
216
cubic
-43m
9,880.6923
false
[CIF] data_HfMn2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01618310 _cell_length_b 3.01618310 _cell_length_c 5.86707872 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMn2Ni _chemical_formula_sum 'Hf1 Mn2 Ni1' _cell_volume 53.37493016 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50809155 1.50809155 4.37103607 1 Mn Mn1 1 0.00000000 0.00000000 0.26941755 1 Mn Mn2 1 1.50809155 1.50809155 1.38404141 1 Ni Ni3 1 0.00000000 0.00000000 2.77612300 1 [/CIF]
HfMn2Ni
P4mm
99
tetragonal
4mm
10,797.333823
false
[CIF] data_Ba2CeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85120679 _cell_length_b 5.85120679 _cell_length_c 5.85120679 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CeAu _chemical_formula_sum 'Ba2 Ce1 Au1' _cell_volume 141.65155398 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.13742800 4.13742800 4.13742800 1 Ba Ba1 1 2.06871400 2.06871400 2.06871400 1 Ba Ba2 1 6.20614200 6.20614200 6.20614200 1 Ce Ce3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBa2Ce
Fm-3m
225
cubic
m-3m
7,171.205982
false
[CIF] data_PuTeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69014736 _cell_length_b 4.69014736 _cell_length_c 4.69014736 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PuTeOs2 _chemical_formula_sum 'Pu1 Te1 Os2' _cell_volume 72.95321994 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 1.65821750 1.65821750 1.65821750 1 Os Os1 1 4.97465250 4.97465250 4.97465250 1 Pu Pu2 1 3.31643500 3.31643500 3.31643500 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Os2PuTe
Fm-3m
225
cubic
m-3m
17,118.161631
false
[CIF] data_YVInAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89601947 _cell_length_b 4.89601947 _cell_length_c 4.89601947 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YVInAu _chemical_formula_sum 'Y1 V1 In1 Au1' _cell_volume 82.98783055 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.19301286 5.19301286 5.19301286 1 In In1 1 1.73100428 1.73100428 1.73100428 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 3.46200857 3.46200857 3.46200857 1 [/CIF]
AuInVY
F-43m
216
cubic
-43m
9,036.896618
false
[CIF] data_LiMo2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.68223661 _cell_length_b 9.68223661 _cell_length_c 9.68223661 _cell_angle_alpha 16.38098073 _cell_angle_beta 16.38098073 _cell_angle_gamma 16.38098073 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMo2Os _chemical_formula_sum 'Li1 Mo2 Os1' _cell_volume 62.94694156 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 0.00000000 0.00000000 21.63426446 1 Mo Mo2 1 -0.00000000 0.00000000 7.01672503 1 Os Os3 1 -0.00000000 -0.00000000 14.32549474 1 [/CIF]
LiMo2Os
R-3m
166
trigonal
-3m
10,264.212837
false
[CIF] data_LiNp2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48347778 _cell_length_b 4.48347778 _cell_length_c 4.48347778 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNp2Co _chemical_formula_sum 'Li1 Np2 Co1' _cell_volume 63.72796732 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.17029754 3.17029754 3.17029754 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Np Np2 1 1.58514877 1.58514877 1.58514877 1 Np Np3 1 4.75544631 4.75544631 4.75544631 1 [/CIF]
CoLiNp2
Fm-3m
225
cubic
m-3m
14,067.327573
false
[CIF] data_BaTiBiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38729657 _cell_length_b 5.38729657 _cell_length_c 5.38729657 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTiBiAu _chemical_formula_sum 'Ba1 Ti1 Bi1 Au1' _cell_volume 110.55990463 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.80939394 3.80939394 3.80939394 1 Ba Ba1 1 1.90469697 1.90469697 1.90469697 1 Bi Bi2 1 5.71409091 5.71409091 5.71409091 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBaBiTi
F-43m
216
cubic
-43m
8,878.559331
false
[CIF] data_Ca2SiBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85977350 _cell_length_b 4.73315927 _cell_length_c 6.02469786 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2SiBr _chemical_formula_sum 'Ca2 Si1 Br1' _cell_volume 110.06473963 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.92988675 2.36657964 3.01234893 1 Ca Ca1 1 0.00000000 0.00000000 3.01234893 1 Ca Ca2 1 1.92988675 2.36657964 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrCa2Si
Pmmm
47
orthorhombic
mmm
2,838.538064
false
[CIF] data_BeZn2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86209404 _cell_length_b 3.66355426 _cell_length_c 5.02113492 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeZn2Ir _chemical_formula_sum 'Be1 Zn2 Ir1' _cell_volume 52.64879293 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.51056746 1 Zn Zn2 1 1.43104702 1.83177713 3.78341497 1 Zn Zn3 1 1.43104702 1.83177713 1.23771995 1 [/CIF]
BeIrZn2
Pmmm
47
orthorhombic
mmm
10,470.914445
false
[CIF] data_Ga2TcGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45626786 _cell_length_b 3.45626786 _cell_length_c 5.16833563 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2TcGe _chemical_formula_sum 'Ga2 Tc1 Ge1' _cell_volume 61.73983927 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 1.72813393 1.72813393 3.84753299 1 Ga Ga1 1 1.72813393 1.72813393 1.32080264 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 0.00000000 0.00000000 2.58416781 1 [/CIF]
Ga2GeTc
P4/mmm
123
tetragonal
4/mmm
8,364.723904
false
[CIF] data_Ba2HfIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51694387 _cell_length_b 5.51694387 _cell_length_c 5.51694387 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2HfIr _chemical_formula_sum 'Ba2 Hf1 Ir1' _cell_volume 118.73553072 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.85160263 5.85160263 5.85160263 1 Ba Ba1 1 1.95053421 1.95053421 1.95053421 1 Hf Hf2 1 0.00000000 0.00000000 0.00000000 1 Ir Ir3 1 3.90106842 3.90106842 3.90106842 1 [/CIF]
Ba2HfIr
Fm-3m
225
cubic
m-3m
9,025.4968
false
[CIF] data_Hf5Sc3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03170010 _cell_length_b 6.03170010 _cell_length_c 11.21729417 _cell_angle_alpha 118.07414777 _cell_angle_beta 118.07414777 _cell_angle_gamma 30.94107069 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5Sc3 _chemical_formula_sum 'Hf5 Sc3' _cell_volume 183.11076394 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.59867750 0.00000000 0.00304076 1 Hf Hf1 1 4.41780535 0.00000000 2.42229505 1 Hf Hf2 1 -2.68680270 0.00000000 4.88921189 1 Hf Hf3 1 8.50421553 -0.00000000 0.40698595 1 Hf Hf4 1 -1.44939812 -0.00000000 7.77654795 1 Sc Sc5 1 1.71021615 0.00000000 7.37468265 1 Sc Sc6 1 1.33406812 -0.00000000 2.83542106 1 Sc Sc7 1 5.73114535 -0.00000000 5.29038550 1 [/CIF]
Hf5Sc3
Cm
8
monoclinic
m
9,316.225861
false
[CIF] data_Y3Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58802775 _cell_length_b 3.58802775 _cell_length_c 8.66462142 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3Zn _chemical_formula_sum 'Y3 Zn1' _cell_volume 111.54784348 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79401388 1.79401388 6.89115164 1 Y Y1 1 1.79401388 1.79401388 1.77346977 1 Y Y2 1 0.00000000 0.00000000 4.33231071 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Y3Zn
P4/mmm
123
tetragonal
4/mmm
4,943.718035
false
[CIF] data_CrAsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07765822 _cell_length_b 4.07765822 _cell_length_c 4.07765822 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAsW _chemical_formula_sum 'Cr1 As1 W1' _cell_volume 47.94214565 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.32500967 4.32500967 4.32500967 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.44166989 1.44166989 1.44166989 1 [/CIF]
AsCrW
F-43m
216
cubic
-43m
10,763.500343
false
[CIF] data_CuTcP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89955693 _cell_length_b 4.89955693 _cell_length_c 4.89955693 _cell_angle_alpha 137.46781448 _cell_angle_beta 137.46781448 _cell_angle_gamma 61.71905082 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuTcP2 _chemical_formula_sum 'Cu1 Tc1 P2' _cell_volume 53.12863376 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.20591423 1 P P1 1 -0.00000000 1.77706831 2.10295712 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 1.77706831 0.00000000 2.10295712 1 [/CIF]
CuP2Tc
I-4m2
119
tetragonal
-42m
7,013.628656
false
[CIF] data_BaLaRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99870587 _cell_length_b 4.99870587 _cell_length_c 4.99870587 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLaRu _chemical_formula_sum 'Ba1 La1 Ru1' _cell_volume 88.31973397 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.30192823 5.30192823 5.30192823 1 La La1 1 3.53461882 3.53461882 3.53461882 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaLaRu
F-43m
216
cubic
-43m
7,093.833544
false
[CIF] data_AlHgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27697967 _cell_length_b 5.27697967 _cell_length_c 5.27697967 _cell_angle_alpha 143.26782142 _cell_angle_beta 143.26782142 _cell_angle_gamma 52.92357537 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlHgPd _chemical_formula_sum 'Al1 Hg1 Pd1' _cell_volume 52.24127441 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 -0.00000000 9.20517715 1 Hg Hg1 1 0.00000000 -0.00000000 6.28995622 1 Pd Pd2 1 0.00000000 -0.00000000 3.40134560 1 [/CIF]
AlHgPd
I4mm
107
tetragonal
4mm
10,616.665788
false
[CIF] data_SrLaGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52056786 _cell_length_b 4.52056786 _cell_length_c 7.10297440 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLaGe _chemical_formula_sum 'Sr1 La1 Ge1' _cell_volume 125.70624907 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.13131936 1 La La1 1 2.26028393 1.30497554 1.55742402 1 Sr Sr2 1 0.00000000 2.60995107 5.41423101 1 [/CIF]
GeLaSr
P3m1
156
trigonal
3m
3,951.879515
false
[CIF] data_La2HgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42885635 _cell_length_b 4.42885635 _cell_length_c 6.32950173 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2HgSe _chemical_formula_sum 'La2 Hg1 Se1' _cell_volume 124.15171136 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.21442817 2.21442817 3.16475086 1 La La1 1 0.00000000 0.00000000 3.16475086 1 La La2 1 2.21442817 2.21442817 0.00000000 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgLa2Se
P4/mmm
123
tetragonal
4/mmm
7,454.747235
false
[CIF] data_BeFeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02246427 _cell_length_b 4.02246427 _cell_length_c 4.02246427 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeFeCl _chemical_formula_sum 'Be1 Fe1 Cl1' _cell_volume 46.02158654 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 1.42215588 1.42215588 1.42215588 1 Fe Fe2 1 4.26646764 4.26646764 4.26646764 1 [/CIF]
BeClFe
F-43m
216
cubic
-43m
3,619.366226
false
[CIF] data_In2GeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80046713 _cell_length_b 4.80046713 _cell_length_c 4.80046713 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2GeIr _chemical_formula_sum 'In2 Ge1 Ir1' _cell_volume 78.22318642 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 3.39444286 3.39444286 3.39444286 1 In In2 1 1.69722143 1.69722143 1.69722143 1 Ir Ir3 1 5.09166429 5.09166429 5.09166429 1 [/CIF]
GeIn2Ir
F-43m
216
cubic
-43m
10,497.206548
false
[CIF] data_BaScAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67425399 _cell_length_b 3.67425399 _cell_length_c 7.77093684 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaScAg2 _chemical_formula_sum 'Ba1 Sc1 Ag2' _cell_volume 104.90875350 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83712699 1.83712699 1.46371812 1 Ag Ag1 1 1.83712699 1.83712699 6.30721872 1 Ba Ba2 1 0.00000000 0.00000000 3.88546842 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2BaSc
P4/mmm
123
tetragonal
4/mmm
6,300.020287
false
[CIF] data_MgZr2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82923250 _cell_length_b 4.82923250 _cell_length_c 4.82923250 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZr2Pt _chemical_formula_sum 'Mg1 Zr2 Pt1' _cell_volume 79.63781700 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 3.41478305 3.41478305 3.41478305 1 Zr Zr2 1 1.70739153 1.70739153 1.70739153 1 Zr Zr3 1 5.12217458 5.12217458 5.12217458 1 [/CIF]
MgPtZr2
Fm-3m
225
cubic
m-3m
8,378.75851
false
[CIF] data_TiAlCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67596850 _cell_length_b 7.67596850 _cell_length_c 2.70299695 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAlCu _chemical_formula_sum 'Ti3 Al3 Cu3' _cell_volume 137.92486087 _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 Al Al0 1 -2.65545049 4.59937516 1.35149848 1 Al Al1 1 1.18253376 2.04820856 1.35149848 1 Al Al2 1 5.31090097 0.00000000 1.35149848 1 Cu Cu3 1 -1.37137199 2.37528596 0.00000000 1 Cu Cu4 1 2.46661226 4.27229775 0.00000000 1 Cu Cu5 1 2.74274398 0.00000000 0.00000000 1 Ti Ti6 1 3.83798425 2.21586124 1.35149848 1 Ti Ti7 1 -0.00000000 4.43172248 1.35149848 1 Ti Ti8 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al3Cu3Ti3
P-62m
189
hexagonal
-6m2
4,999.060182
false
[CIF] data_Rb2InW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07528265 _cell_length_b 6.07528265 _cell_length_c 6.07528265 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2InW _chemical_formula_sum 'Rb2 In1 W1' _cell_volume 158.55665180 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rb Rb1 1 6.44381034 6.44381034 6.44381034 1 Rb Rb2 1 2.14793678 2.14793678 2.14793678 1 W W3 1 4.29587356 4.29587356 4.29587356 1 [/CIF]
InRb2W
Fm-3m
225
cubic
m-3m
4,917.980478
false