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_TlHgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03399071 _cell_length_b 6.03399071 _cell_length_c 6.03399071 _cell_angle_alpha 142.37573058 _cell_angle_beta 142.37573058 _cell_angle_gamma 54.26322996 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlHgSe _chemical_formula_sum 'Tl1 Hg1 Se1' _cell_volume 81.32299622 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.52183236 1 Se Se1 1 0.00000000 -0.00000000 3.67434531 1 Tl Tl2 1 0.00000000 -0.00000000 7.28389533 1 [/CIF]
HgSeTl
I4mm
107
tetragonal
4mm
9,881.462656
false
[CIF] data_MgNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80077880 _cell_length_b 5.80077880 _cell_length_c 7.58572117 _cell_angle_alpha 103.08748485 _cell_angle_beta 103.08748485 _cell_angle_gamma 28.02073895 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNb _chemical_formula_sum 'Mg3 Nb3' _cell_volume 116.60379625 _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 Mg Mg0 1 9.43561458 -0.00000000 7.28188753 1 Mg Mg1 1 6.87791182 -0.00000000 2.39044792 1 Mg Mg2 1 3.91758744 0.00000000 2.14086024 1 Nb Nb3 1 2.52424805 -0.00000000 4.85798075 1 Nb Nb4 1 -0.40133282 -0.00000000 4.68034494 1 Nb Nb5 1 6.50494617 0.00000000 6.92408032 1 [/CIF]
Mg3Nb3
Cm
8
monoclinic
m
5,007.574757
false
[CIF] data_Mg2MnTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08497008 _cell_length_b 5.08497008 _cell_length_c 2.73531008 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.92947570 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2MnTc _chemical_formula_sum 'Mg2 Mn1 Tc1' _cell_volume 65.13823313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40459608 -2.11927819 1.36765504 1 Mg Mg1 1 1.40459608 2.11927819 1.36765504 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 2.80919217 0.00000000 0.00000000 1 [/CIF]
Mg2MnTc
Cmmm
65
orthorhombic
mmm
5,161.073103
false
[CIF] data_MgCd2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17563126 _cell_length_b 3.17563126 _cell_length_c 8.47988942 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCd2Ge _chemical_formula_sum 'Mg1 Cd2 Ge1' _cell_volume 85.51658031 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.58781563 1.58781563 8.41336740 1 Cd Cd1 1 0.00000000 0.00000000 2.19394438 1 Ge Ge2 1 1.58781563 1.58781563 4.34009051 1 Mg Mg3 1 0.00000000 0.00000000 6.25232126 1 [/CIF]
Cd2GeMg
P4mm
99
tetragonal
4mm
6,247.989243
false
[CIF] data_AgHgIrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89363978 _cell_length_b 4.89363978 _cell_length_c 4.89363978 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgHgIrPb _chemical_formula_sum 'Ag1 Hg1 Ir1 Pb1' _cell_volume 82.86688132 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 3.46032587 3.46032587 3.46032587 1 Ir Ir2 1 1.73016294 1.73016293 1.73016293 1 Pb Pb3 1 5.19048881 5.19048881 5.19048881 1 [/CIF]
AgHgIrPb
F-43m
216
cubic
-43m
14,184.851719
false
[CIF] data_KLa2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44056898 _cell_length_b 5.44056898 _cell_length_c 5.44056898 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLa2Pt _chemical_formula_sum 'K1 La2 Pt1' _cell_volume 113.87226665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 1.92353161 1.92353161 1.92353161 1 La La2 1 5.77059483 5.77059483 5.77059483 1 Pt Pt3 1 3.84706322 3.84706322 3.84706322 1 [/CIF]
KLa2Pt
Fm-3m
225
cubic
m-3m
7,466.126756
false
[CIF] data_Sr2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40197211 _cell_length_b 6.40197211 _cell_length_c 6.25374155 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 59.87994417 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Ni _chemical_formula_sum 'Sr4 Ni2' _cell_volume 221.70293919 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 5.54762106 1.78538747 1.56343539 1 Ni Ni1 1 5.54762106 -1.78538747 4.69030616 1 Sr Sr2 1 7.37944065 -1.40774001 1.56343539 1 Sr Sr3 1 3.71580147 1.40774001 4.69030616 1 Sr Sr4 1 3.71580147 -1.40774001 1.56343539 1 Sr Sr5 1 7.37944065 1.40774001 4.69030616 1 [/CIF]
Ni2Sr4
Cmcm
63
orthorhombic
mmm
3,504.288677
false
[CIF] data_KAlCo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99348246 _cell_length_b 4.99348246 _cell_length_c 4.99348246 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAlCo4 _chemical_formula_sum 'K1 Al1 Co4' _cell_volume 88.04315331 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 4.42755029 4.42755029 2.63430033 1 Co Co2 1 4.42755029 2.63430033 4.42755029 1 Co Co3 1 2.63430033 4.42755029 4.42755029 1 Co Co4 1 2.63430033 2.63430033 2.63430033 1 K K5 1 5.29638797 5.29638797 5.29638797 1 [/CIF]
AlCo4K
F-43m
216
cubic
-43m
5,692.340916
false
[CIF] data_SnHgB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57094161 _cell_length_b 4.57094161 _cell_length_c 4.57094161 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnHgB _chemical_formula_sum 'Sn1 Hg1 B1' _cell_volume 67.53082002 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 -0.00000000 -0.00000000 -0.00000000 1 Hg Hg1 1 4.84821571 4.84821571 4.84821572 1 Sn Sn2 1 3.23214381 3.23214381 3.23214381 1 [/CIF]
BHgSn
F-43m
216
cubic
-43m
8,117.215394
false
[CIF] data_KScAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58031314 _cell_length_b 5.58031314 _cell_length_c 5.58031314 _cell_angle_alpha 130.66788808 _cell_angle_beta 130.66788808 _cell_angle_gamma 72.34126914 _symmetry_Int_Tables_number 1 _chemical_formula_structural KScAl2 _chemical_formula_sum 'K1 Sc1 Al2' _cell_volume 97.72537504 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Al Al1 1 2.32882521 -0.00000000 2.25238990 1 K K2 1 0.00000000 0.00000000 4.50477980 1 Sc Sc3 1 0.00000000 2.32882521 2.25238990 1 [/CIF]
Al2KSc
I-4m2
119
tetragonal
-42m
2,345.17494
false
[CIF] data_PdPb2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82482486 _cell_length_b 5.82482486 _cell_length_c 5.23303480 _cell_angle_alpha 90.72355944 _cell_angle_beta 90.72355944 _cell_angle_gamma 33.23881150 _symmetry_Int_Tables_number 1 _chemical_formula_structural PdPb2Cl _chemical_formula_sum 'Pd1 Pb2 Cl1' _cell_volume 97.31172053 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 2.76293043 -0.00000000 4.52772666 1 Pb Pb1 1 -0.02769324 0.00000000 4.66474852 1 Pb Pb2 1 8.40270223 -0.00000000 1.93419863 1 Pd Pd3 1 5.43414089 -0.00000000 1.95477706 1 [/CIF]
ClPb2Pd
Cm
8
monoclinic
m
9,492.310311
false
[CIF] data_Ga2OsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99833932 _cell_length_b 2.99833932 _cell_length_c 6.58485122 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2OsW _chemical_formula_sum 'Ga2 Os1 W1' _cell_volume 59.19806716 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49916966 1.49916966 1.78037875 1 Ga Ga1 1 1.49916966 1.49916966 4.80447247 1 Os Os2 1 0.00000000 0.00000000 3.29242561 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2OsW
P4/mmm
123
tetragonal
4/mmm
14,404.412514
false
[CIF] data_Tl2CuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09266866 _cell_length_b 5.09266866 _cell_length_c 5.09266866 _cell_angle_alpha 122.83649660 _cell_angle_beta 122.83649660 _cell_angle_gamma 85.15347060 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2CuAu _chemical_formula_sum 'Tl2 Cu1 Au1' _cell_volume 89.04262201 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 -0.00000000 3.75009794 1 Cu Cu1 1 -0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 2.43639483 0.00000000 1.87504897 1 Tl Tl3 1 -0.00000000 2.43639483 1.87504897 1 [/CIF]
AuCuTl2
I4/mmm
139
tetragonal
4/mmm
12,481.261013
false
[CIF] data_GeBi2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88811761 _cell_length_b 3.88811761 _cell_length_c 7.64795430 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeBi2Pb _chemical_formula_sum 'Ge1 Bi2 Pb1' _cell_volume 115.61763212 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94405881 1.94405881 5.97250143 1 Bi Bi1 1 1.94405881 1.94405881 1.67545287 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 0.00000000 0.00000000 3.82397715 1 [/CIF]
Bi2GePb
P4/mmm
123
tetragonal
4/mmm
10,022.048263
false
[CIF] data_CaNbCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53742960 _cell_length_b 4.53742960 _cell_length_c 4.53742960 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNbCu _chemical_formula_sum 'Ca1 Nb1 Cu1' _cell_volume 66.05636966 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 3.20844724 3.20844724 3.20844724 1 Nb Nb2 1 4.81267086 4.81267086 4.81267086 1 [/CIF]
CaCuNb
F-43m
216
cubic
-43m
4,940.422482
false
[CIF] data_MnBeTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84028627 _cell_length_b 4.84028627 _cell_length_c 4.84028627 _cell_angle_alpha 144.71774863 _cell_angle_beta 131.52089865 _cell_angle_gamma 61.36619834 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBeTc2 _chemical_formula_sum 'Mn1 Be1 Tc2' _cell_volume 48.53575554 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.07057973 1 Mn Mn1 1 1.46686808 -0.00000000 2.01042012 1 Tc Tc2 1 -0.00000000 -0.00000000 4.11699544 1 Tc Tc3 1 0.00000000 1.98719193 2.12732451 1 [/CIF]
BeMnTc2
Imm2
44
orthorhombic
mm2
8,955.623588
false
[CIF] data_As2PdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28806744 _cell_length_b 3.28806744 _cell_length_c 6.53283309 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural As2PdAu _chemical_formula_sum 'As2 Pd1 Au1' _cell_volume 70.62898994 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64403372 1.64403372 1.52167086 1 As As1 1 1.64403372 1.64403372 5.01116223 1 Au Au2 1 0.00000000 0.00000000 3.26641654 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2AuPd
P4/mmm
123
tetragonal
4/mmm
10,655.762431
false
[CIF] data_HfGa2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78653344 _cell_length_b 4.78653344 _cell_length_c 2.80403542 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.67037493 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGa2Co _chemical_formula_sum 'Hf1 Ga2 Co1' _cell_volume 60.49406439 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 1.37835499 1.95649256 1.40201771 1 Ga Ga2 1 1.37835499 -1.95649256 1.40201771 1 Hf Hf3 1 2.75670997 -0.00000000 0.00000000 1 [/CIF]
CoGa2Hf
Cmmm
65
orthorhombic
mmm
10,344.916111
false
[CIF] data_CuNiIrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25905331 _cell_length_b 4.25905331 _cell_length_c 4.25905331 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuNiIrPt _chemical_formula_sum 'Cu1 Ni1 Ir1 Pt1' _cell_volume 54.62912342 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.51740822 4.51740822 4.51740822 1 Ir Ir1 1 1.50580274 1.50580274 1.50580274 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 3.01160548 3.01160548 3.01160548 1 [/CIF]
CuIrNiPt
F-43m
216
cubic
-43m
15,488.290628
false
[CIF] data_SrPtO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02517040 _cell_length_b 4.02517040 _cell_length_c 4.02517040 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrPtO3 _chemical_formula_sum 'Sr1 Pt1 O3' _cell_volume 65.21579778 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 2.01258520 2.01258520 0.00000000 1 O O1 1 0.00000000 2.01258520 2.01258520 1 O O2 1 2.01258520 0.00000000 2.01258520 1 Pt Pt3 1 2.01258520 2.01258520 2.01258520 1 Sr Sr4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
O3PtSr
Pm-3m
221
cubic
m-3m
8,420.412556
false
[CIF] data_CaTi2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89355833 _cell_length_b 5.89355833 _cell_length_c 5.89355833 _cell_angle_alpha 147.15246937 _cell_angle_beta 134.05669611 _cell_angle_gamma 57.62307083 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTi2Re _chemical_formula_sum 'Ca1 Ti2 Re1' _cell_volume 79.16960561 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.46422600 1 Re Re1 1 -0.00000000 2.30011228 2.80269244 1 Ti Ti2 1 -0.00000000 0.00000000 9.77965467 1 Ti Ti3 1 1.66634079 0.00000000 2.60939809 1 [/CIF]
CaReTi2
Imm2
44
orthorhombic
mm2
6,754.171952
false
[CIF] data_BaSr2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05426609 _cell_length_b 4.05426609 _cell_length_c 10.78563782 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSr2Al _chemical_formula_sum 'Ba1 Sr2 Al1' _cell_volume 177.28432207 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 0.00000000 0.00000000 5.39281891 1 Sr Sr2 1 2.02713305 2.02713305 8.89758140 1 Sr Sr3 1 2.02713305 2.02713305 1.88805642 1 [/CIF]
AlBaSr2
P4/mmm
123
tetragonal
4/mmm
3,180.418883
false
[CIF] data_NbVSnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53305783 _cell_length_b 4.53305783 _cell_length_c 4.53305783 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbVSnRu _chemical_formula_sum 'Nb1 V1 Sn1 Ru1' _cell_volume 65.86561942 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 1.60267797 1.60267797 1.60267797 1 Ru Ru1 1 4.80803390 4.80803390 4.80803390 1 Sn Sn2 1 3.20535593 3.20535593 3.20535593 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbRuSnV
F-43m
216
cubic
-43m
9,167.427647
false
[CIF] data_BaSiGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61001957 _cell_length_b 4.61001957 _cell_length_c 4.61071849 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSiGe2 _chemical_formula_sum 'Ba1 Si1 Ge2' _cell_volume 97.98828236 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30500979 2.30500979 0.00000000 1 Ge Ge1 1 2.30500979 0.00000000 2.30535925 1 Ge Ge2 1 0.00000000 2.30500979 2.30535925 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaGe2Si
P4/mmm
123
tetragonal
4/mmm
5,265.089968
false
[CIF] data_La3Re2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97635088 _cell_length_b 5.97635088 _cell_length_c 8.11909990 _cell_angle_alpha 129.79664306 _cell_angle_beta 129.79664306 _cell_angle_gamma 33.76529703 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3Re2 _chemical_formula_sum 'La3 Re2' _cell_volume 119.80942455 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 -2.11227300 0.00000000 4.57614609 1 La La1 1 8.11902377 0.00000000 1.45925806 1 La La2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 1.00736363 0.00000000 3.46031773 1 Re Re4 1 4.99938714 -0.00000000 2.57508642 1 [/CIF]
La3Re2
C2/m
12
monoclinic
2/m
10,937.218665
false
[CIF] data_CaTcPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.46744170 _cell_length_b 9.46744170 _cell_length_c 9.46744170 _cell_angle_alpha 17.73310394 _cell_angle_beta 17.73310394 _cell_angle_gamma 17.73310394 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTcPt2 _chemical_formula_sum 'Ca1 Tc1 Pt2' _cell_volume 68.72164425 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.00000000 0.00000000 21.09837200 1 Pt Pt2 1 -0.00000000 0.00000000 6.85049400 1 Tc Tc3 1 0.00000000 0.00000000 13.97443300 1 [/CIF]
CaPt2Tc
R-3m
166
trigonal
-3m
12,786.043019
false
[CIF] data_NbSiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15490184 _cell_length_b 6.15490184 _cell_length_c 6.15490184 _cell_angle_alpha 153.32691310 _cell_angle_beta 153.32691310 _cell_angle_gamma 38.07866879 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSiMo _chemical_formula_sum 'Nb1 Si1 Mo1' _cell_volume 46.91096458 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 -0.00000000 0.20117161 1 Nb Nb1 1 0.00000000 -0.00000000 3.72542190 1 Si Si2 1 0.00000000 0.00000000 7.70980045 1 [/CIF]
MoNbSi
I4mm
107
tetragonal
4mm
7,679.592086
false
[CIF] data_CoAg2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83021111 _cell_length_b 4.58445346 _cell_length_c 4.83895151 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.23167678 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoAg2P _chemical_formula_sum 'Co1 Ag2 P1' _cell_volume 62.13839373 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.07222141 2.29222673 1.17980906 1 Ag Ag1 1 0.06516738 2.29222673 3.60928783 1 Co Co2 1 1.06869439 0.00000000 2.39454844 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2CoP
P2/m
10
monoclinic
2/m
8,167.780084
false
[CIF] data_NaAl4P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43628404 _cell_length_b 5.43628404 _cell_length_c 5.43628404 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAl4P _chemical_formula_sum 'Na1 Al4 P1' _cell_volume 113.60342439 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.87942894 2.87942894 4.80863768 1 Al Al1 1 2.87942894 4.80863768 2.87942894 1 Al Al2 1 4.80863768 2.87942894 2.87942894 1 Al Al3 1 4.80863768 4.80863768 4.80863768 1 Na Na4 1 0.00000000 0.00000000 0.00000000 1 P P5 1 1.92201666 1.92201666 1.92201666 1 [/CIF]
Al4NaP
F-43m
216
cubic
-43m
2,366.338418
false
[CIF] data_Tc2AgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40982848 _cell_length_b 5.40982848 _cell_length_c 5.40982848 _cell_angle_alpha 145.53340688 _cell_angle_beta 130.07247288 _cell_angle_gamma 62.08168094 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2AgSn _chemical_formula_sum 'Tc2 Ag1 Sn1' _cell_volume 67.84631947 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 0.00000000 0.00000000 4.63514084 1 Tc Tc2 1 1.60273280 0.00000000 2.42639861 1 Tc Tc3 1 0.00000000 2.28319099 2.20874223 1 [/CIF]
AgSnTc2
Immm
71
orthorhombic
mmm
10,386.962422
false
[CIF] data_MnCo3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76260527 _cell_length_b 3.76260527 _cell_length_c 3.76260527 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCo3N _chemical_formula_sum 'Mn1 Co3 N1' _cell_volume 53.26794938 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88130264 1.88130264 1.88130264 1 Co Co1 1 0.00000000 1.88130264 0.00000000 1 Co Co2 1 0.00000000 0.00000000 1.88130264 1 Co Co3 1 1.88130264 0.00000000 0.00000000 1 N N4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co3MnN
Pm-3m
221
cubic
m-3m
7,660.667721
false
[CIF] data_Zn2CdTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31426154 _cell_length_b 4.31426154 _cell_length_c 6.27841665 _cell_angle_alpha 105.66600198 _cell_angle_beta 105.66600198 _cell_angle_gamma 55.01527100 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CdTe _chemical_formula_sum 'Zn2 Cd1 Te1' _cell_volume 91.19834010 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 2.84751524 0.00000000 3.24271607 1 Te Te1 1 5.26606183 -0.00000000 1.31965069 1 Zn Zn2 1 5.76142019 0.00000000 5.69873240 1 Zn Zn3 1 0.47904408 -0.00000000 4.68983942 1 [/CIF]
CdTeZn2
Cm
8
monoclinic
m
6,750.997108
false
[CIF] data_BaHfInFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99415973 _cell_length_b 4.99415973 _cell_length_c 4.99415973 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHfInFe _chemical_formula_sum 'Ba1 Hf1 In1 Fe1' _cell_volume 88.07898209 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76570210 1.76570210 1.76570210 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 3.53140421 3.53140421 3.53140421 1 In In3 1 5.29710632 5.29710632 5.29710632 1 [/CIF]
BaFeHfIn
F-43m
216
cubic
-43m
9,171.53021
false
[CIF] data_ScInAgIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68908593 _cell_length_b 4.68908593 _cell_length_c 4.68908593 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScInAgIr _chemical_formula_sum 'Sc1 In1 Ag1 Ir1' _cell_volume 72.90370118 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65784223 1.65784223 1.65784223 1 In In1 1 4.97352669 4.97352669 4.97352669 1 Ir Ir2 1 3.31568446 3.31568446 3.31568446 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgInIrSc
F-43m
216
cubic
-43m
10,474.283312
false
[CIF] data_Cd4InSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96969513 _cell_length_b 5.96969513 _cell_length_c 5.96969513 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd4InSb _chemical_formula_sum 'Cd4 In1 Sb1' _cell_volume 150.43242626 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.16499926 3.16499926 5.27742456 1 Cd Cd1 1 3.16499926 5.27742456 3.16499926 1 Cd Cd2 1 5.27742456 3.16499926 3.16499926 1 Cd Cd3 1 5.27742456 5.27742456 5.27742456 1 In In4 1 0.00000000 0.00000000 0.00000000 1 Sb Sb5 1 2.11060596 2.11060596 2.11060596 1 [/CIF]
Cd4InSb
F-43m
216
cubic
-43m
7,574.819257
false
[CIF] data_BaIn2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73492734 _cell_length_b 4.73492734 _cell_length_c 5.13917528 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaIn2Si _chemical_formula_sum 'Ba1 In2 Si1' _cell_volume 115.21792990 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.36746367 2.36746367 0.00000000 1 In In1 1 2.36746367 0.00000000 2.56958764 1 In In2 1 0.00000000 2.36746367 2.56958764 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaIn2Si
P4/mmm
123
tetragonal
4/mmm
5,693.514669
false
[CIF] data_CuPd2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68391767 _cell_length_b 2.68391767 _cell_length_c 9.07772044 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.54716663 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuPd2Ru _chemical_formula_sum 'Cu1 Pd2 Ru1' _cell_volume 57.97727626 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28760189 1 Pd Pd1 1 1.39140016 0.00000000 0.11003831 1 Pd Pd2 1 0.00000000 0.00000000 6.77075332 1 Ru Ru3 1 1.39140016 0.00000000 4.44818714 1 [/CIF]
CuPd2Ru
Cmm2
35
orthorhombic
mm2
10,810.794752
false
[CIF] data_VCuSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74430352 _cell_length_b 4.74430352 _cell_length_c 4.74430352 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCuSn2 _chemical_formula_sum 'V1 Cu1 Sn2' _cell_volume 75.50963976 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.35472919 3.35472919 3.35472919 1 Sn Sn1 1 1.67736460 1.67736460 1.67736459 1 Sn Sn2 1 5.03209378 5.03209378 5.03209378 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuSn2V
Fm-3m
225
cubic
m-3m
7,738.828492
false
[CIF] data_Be2NiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77358212 _cell_length_b 2.77358212 _cell_length_c 5.78224024 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2NiAg _chemical_formula_sum 'Be2 Ni1 Ag1' _cell_volume 44.48137357 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.38679106 1.38679106 4.46479600 1 Be Be1 1 0.00000000 0.00000000 0.25782188 1 Be Be2 1 1.38679106 1.38679106 1.45237819 1 Ni Ni3 1 0.00000000 0.00000000 2.49836428 1 [/CIF]
AgBe2Ni
P4mm
99
tetragonal
4mm
6,890.798997
false
[CIF] data_CaHfBiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36132526 _cell_length_b 5.36132526 _cell_length_c 5.36132526 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHfBiPb _chemical_formula_sum 'Ca1 Hf1 Bi1 Pb1' _cell_volume 108.96862484 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89551472 1.89551472 1.89551472 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 3.79102945 3.79102945 3.79102945 1 Pb Pb3 1 5.68654417 5.68654417 5.68654417 1 [/CIF]
BiCaHfPb
F-43m
216
cubic
-43m
9,672.733938
false
[CIF] data_Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76084482 _cell_length_b 3.76084482 _cell_length_c 3.76084482 _cell_angle_alpha 97.50827856 _cell_angle_beta 97.50827856 _cell_angle_gamma 137.61748760 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pd _chemical_formula_sum Pd2 _cell_volume 33.43167999 _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 Pd Pd0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 -0.00000000 2.47949301 0.67973939 1 [/CIF]
Pd2
I4_1/amd
141
tetragonal
4/mmm
10,571.683357
false
[CIF] data_NiPdPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73569255 _cell_length_b 4.73569255 _cell_length_c 4.72552047 _cell_angle_alpha 100.58336999 _cell_angle_beta 100.58336999 _cell_angle_gamma 34.00991627 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiPdPt2 _chemical_formula_sum 'Ni1 Pd1 Pt2' _cell_volume 58.17388310 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.05600533 -0.00000000 2.30637607 1 Pd Pd1 1 1.54219972 -0.00000000 3.44846022 1 Pt Pt2 1 0.01194811 0.00000000 0.00905374 1 Pt Pt3 1 6.61438574 -0.00000000 1.19242511 1 [/CIF]
NiPdPt2
Cm
8
monoclinic
m
15,850.178955
false
[CIF] data_K2AsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77459997 _cell_length_b 5.77459997 _cell_length_c 3.54163870 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.84908610 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2AsPd _chemical_formula_sum 'K2 As1 Pd1' _cell_volume 101.39089075 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 1.42508282 2.51110337 1.77081935 1 K K2 1 1.42508283 -2.51110337 1.77081935 1 Pd Pd3 1 2.85016565 -0.00000000 0.00000000 1 [/CIF]
AsK2Pd
Cmmm
65
orthorhombic
mmm
4,250.611837
false
[CIF] data_ZnMoRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07849224 _cell_length_b 3.07849224 _cell_length_c 6.08570465 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnMoRu2 _chemical_formula_sum 'Zn1 Mo1 Ru2' _cell_volume 57.67491961 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.04285233 1 Ru Ru1 1 1.53924612 1.53924612 4.57406047 1 Ru Ru2 1 1.53924612 1.53924612 1.51164418 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoRu2Zn
P4/mmm
123
tetragonal
4/mmm
10,465.081599
false
[CIF] data_MgBiPdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17686529 _cell_length_b 5.17686529 _cell_length_c 5.17686529 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBiPdPb _chemical_formula_sum 'Mg1 Bi1 Pd1 Pb1' _cell_volume 98.10374669 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83029828 1.83029827 1.83029827 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 3.66059655 3.66059655 3.66059655 1 Pd Pd3 1 5.49089483 5.49089483 5.49089483 1 [/CIF]
BiMgPbPd
F-43m
216
cubic
-43m
9,257.116197
false
[CIF] data_Tc2RhPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96600287 _cell_length_b 2.96600287 _cell_length_c 7.69196858 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2RhPb _chemical_formula_sum 'Tc2 Rh1 Pb1' _cell_volume 67.66757850 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.48300144 1.48300144 3.87291941 1 Rh Rh1 1 0.00000000 0.00000000 5.93841273 1 Tc Tc2 1 1.48300144 1.48300144 0.08145410 1 Tc Tc3 1 0.00000000 0.00000000 1.64516662 1 [/CIF]
PbRhTc2
P4mm
99
tetragonal
4mm
12,464.130301
false
[CIF] data_Y2CoCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43897014 _cell_length_b 3.34556201 _cell_length_c 7.91811269 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.62183356 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2CoCl _chemical_formula_sum 'Y2 Co1 Cl1' _cell_volume 91.00480303 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 1.53838334 0.00000000 3.95491205 1 Y Y2 1 -0.21599939 1.67278101 5.58093688 1 Y Y3 1 3.29276607 1.67278101 2.32888722 1 [/CIF]
ClCoY2
P2/m
10
monoclinic
2/m
4,966.718497
false
[CIF] data_Zn4CuTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29386281 _cell_length_b 5.29386281 _cell_length_c 5.29386281 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn4CuTe _chemical_formula_sum 'Zn4 Cu1 Te1' _cell_volume 104.90665724 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 1.87166315 1.87166315 1.87166315 1 Zn Zn2 1 2.79907650 2.79907650 4.68757608 1 Zn Zn3 1 2.79907650 4.68757608 2.79907650 1 Zn Zn4 1 4.68757608 2.79907650 2.79907650 1 Zn Zn5 1 4.68757608 4.68757608 4.68757608 1 [/CIF]
CuTeZn4
F-43m
216
cubic
-43m
7,165.127523
false
[CIF] data_SrSnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78996546 _cell_length_b 4.78996546 _cell_length_c 4.53708014 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSnGe _chemical_formula_sum 'Sr1 Sn1 Ge1' _cell_volume 90.15126921 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.61780554 1 Sn Sn1 1 2.39498273 1.38274392 0.86655445 1 Sr Sr2 1 -0.00000000 2.76548785 3.05272015 1 [/CIF]
GeSnSr
P3m1
156
trigonal
3m
5,138.480993
false
[CIF] data_Y2NbBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92028553 _cell_length_b 3.92028553 _cell_length_c 6.88778299 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2NbBi _chemical_formula_sum 'Y2 Nb1 Bi1' _cell_volume 105.85584796 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 3.44389150 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 1.96014277 1.96014277 1.67345107 1 Y Y3 1 1.96014277 1.96014277 5.21433192 1 [/CIF]
BiNbY2
P4/mmm
123
tetragonal
4/mmm
7,525.217112
false
[CIF] data_CrOsPtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31944057 _cell_length_b 4.31944057 _cell_length_c 4.31944057 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrOsPtRh _chemical_formula_sum 'Cr1 Os1 Pt1 Rh1' _cell_volume 56.98591319 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 1.52715286 1.52715286 1.52715286 1 Pt Pt2 1 4.58145858 4.58145858 4.58145858 1 Rh Rh3 1 3.05430572 3.05430572 3.05430572 1 [/CIF]
CrOsPtRh
F-43m
216
cubic
-43m
15,741.593983
false
[CIF] data_AgTeAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32684010 _cell_length_b 4.32684010 _cell_length_c 4.33727484 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgTeAu2 _chemical_formula_sum 'Ag1 Te1 Au2' _cell_volume 81.20048718 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Au Au1 1 0.00000000 2.16342005 2.16863742 1 Au Au2 1 2.16342005 0.00000000 2.16863742 1 Te Te3 1 2.16342005 2.16342005 0.00000000 1 [/CIF]
AgAu2Te
P4/mmm
123
tetragonal
4/mmm
12,871.172903
false
[CIF] data_NaCuW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91439875 _cell_length_b 4.47257751 _cell_length_c 5.06938314 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCuW2 _chemical_formula_sum 'Na1 Cu1 W2' _cell_volume 66.07877203 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45719938 2.23628875 0.00000000 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 0.00000000 2.23628875 2.53469157 1 W W3 1 1.45719938 0.00000000 2.53469157 1 [/CIF]
CuNaW2
Pmmm
47
orthorhombic
mmm
11,414.301543
false
[CIF] data_BaTlTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65216965 _cell_length_b 6.65216965 _cell_length_c 6.65216965 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTlTe4 _chemical_formula_sum 'Ba1 Tl1 Te4' _cell_volume 208.14929864 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 5.87583464 5.87583464 3.53175390 1 Te Te2 1 5.87583464 3.53175390 5.87583464 1 Te Te3 1 3.53175390 5.87583464 5.87583464 1 Te Te4 1 3.53175390 3.53175390 3.53175390 1 Tl Tl5 1 7.05569141 7.05569141 7.05569141 1 [/CIF]
BaTe4Tl
F-43m
216
cubic
-43m
6,797.824694
false
[CIF] data_ReGe2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42821750 _cell_length_b 4.42821750 _cell_length_c 5.11138879 _cell_angle_alpha 101.01354114 _cell_angle_beta 101.01354114 _cell_angle_gamma 38.88019397 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReGe2Mo _chemical_formula_sum 'Re1 Ge2 Mo1' _cell_volume 61.60902692 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.01457170 0.00000000 1.29463590 1 Ge Ge1 1 1.30143793 0.00000000 3.71076061 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 3.65800482 -0.00000000 2.50269825 1 [/CIF]
Ge2MoRe
C2/m
12
monoclinic
2/m
11,520.9163
false
[CIF] data_NbCrHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86685171 _cell_length_b 2.86685171 _cell_length_c 8.61416222 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCrHg2 _chemical_formula_sum 'Nb1 Cr1 Hg2' _cell_volume 70.79840998 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 1.43342585 1.43342585 2.03542713 1 Hg Hg2 1 1.43342585 1.43342585 6.57873509 1 Nb Nb3 1 0.00000000 0.00000000 4.30708111 1 [/CIF]
CrHg2Nb
P4/mmm
123
tetragonal
4/mmm
12,808.4379
false
[CIF] data_ScReAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90504213 _cell_length_b 2.90504213 _cell_length_c 8.27311289 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScReAu2 _chemical_formula_sum 'Sc1 Re1 Au2' _cell_volume 69.81903157 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45252107 1.45252107 2.09610244 1 Au Au1 1 1.45252107 1.45252107 6.17701045 1 Re Re2 1 0.00000000 0.00000000 4.13655645 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2ReSc
P4/mmm
123
tetragonal
4/mmm
14,866.955155
false
[CIF] data_SrHf2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25457714 _cell_length_b 3.25457714 _cell_length_c 8.91496156 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHf2Co _chemical_formula_sum 'Sr1 Hf2 Co1' _cell_volume 94.42970092 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 1.62728857 1.62728857 1.44673289 1 Hf Hf2 1 1.62728857 1.62728857 7.46822867 1 Sr Sr3 1 0.00000000 0.00000000 4.45748078 1 [/CIF]
CoHf2Sr
P4/mmm
123
tetragonal
4/mmm
8,854.592712
false
[CIF] data_YSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68035965 _cell_length_b 5.68035965 _cell_length_c 3.36258509 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSn _chemical_formula_sum 'Y2 Sn2' _cell_volume 108.49880390 _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 Sn Sn0 1 2.84017982 2.84017982 0.00000000 1 Sn Sn1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 2.84017982 0.00000000 1.57554173 1 Y Y3 1 0.00000000 2.84017982 1.78704336 1 [/CIF]
Sn2Y2
P4/nmm
129
tetragonal
4/mmm
6,354.986735
false
[CIF] data_VRePdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37701360 _cell_length_b 4.37701360 _cell_length_c 4.37701360 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VRePdPt _chemical_formula_sum 'V1 Re1 Pd1 Pt1' _cell_volume 59.29508434 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09501600 3.09501600 3.09501600 1 Pt Pt1 1 1.54750800 1.54750800 1.54750800 1 Re Re2 1 4.64252400 4.64252400 4.64252400 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PdPtReV
F-43m
216
cubic
-43m
15,084.783663
false
[CIF] data_GaHgOsPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54771267 _cell_length_b 4.54771267 _cell_length_c 4.54771267 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaHgOsPt _chemical_formula_sum 'Ga1 Hg1 Os1 Pt1' _cell_volume 66.50649431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 4.82357771 4.82357771 4.82357771 1 Os Os2 1 1.60785924 1.60785924 1.60785924 1 Pt Pt3 1 3.21571847 3.21571847 3.21571847 1 [/CIF]
GaHgOsPt
F-43m
216
cubic
-43m
16,369.743404
false
[CIF] data_CaGe2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79325165 _cell_length_b 4.79325165 _cell_length_c 3.23846147 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.09797567 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGe2Os _chemical_formula_sum 'Ca1 Ge2 Os1' _cell_volume 71.48702031 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.44068841 1.91526297 1.61923073 1 Ge Ge2 1 1.44068841 -1.91526298 1.61923073 1 Os Os3 1 2.88137681 -0.00000000 0.00000000 1 [/CIF]
CaGe2Os
Cmmm
65
orthorhombic
mmm
8,724.360649
false
[CIF] data_LiPt7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56091966 _cell_length_b 5.56091966 _cell_length_c 5.56091966 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiPt7 _chemical_formula_sum 'Li1 Pt7' _cell_volume 121.59756102 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 3.93216400 3.93216400 3.93216400 1 Pt Pt2 1 1.96608200 1.96608200 0.00000000 1 Pt Pt3 1 1.96608200 3.93216400 1.96608200 1 Pt Pt4 1 3.93216400 1.96608200 1.96608200 1 Pt Pt5 1 1.96608200 1.96608200 3.93216400 1 Pt Pt6 1 0.00000000 1.96608200 1.96608200 1 Pt Pt7 1 1.96608200 0.00000000 1.96608200 1 [/CIF]
LiPt7
Fm-3m
225
cubic
m-3m
18,743.287327
false
[CIF] data_Ta2BiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97053596 _cell_length_b 3.97603422 _cell_length_c 6.81615672 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.18466531 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2BiIr _chemical_formula_sum 'Ta2 Bi1 Ir1' _cell_volume 79.68530682 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 -0.48518775 0.00000000 3.37336493 1 Ir Ir1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.30822114 1.98801711 1.32170516 1 Ta Ta3 1 0.69193932 1.98801711 5.42502470 1 [/CIF]
BiIrTa2
P2/m
10
monoclinic
2/m
15,901.877701
false
[CIF] data_Ta2MnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69470489 _cell_length_b 4.69470489 _cell_length_c 4.69470489 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2MnPb _chemical_formula_sum 'Ta2 Mn1 Pb1' _cell_volume 73.16609821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 1.65982883 1.65982883 1.65982883 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 4.97948650 4.97948650 4.97948650 1 Ta Ta3 1 3.31965767 3.31965766 3.31965767 1 [/CIF]
MnPbTa2
F-43m
216
cubic
-43m
14,162.741179
false
[CIF] data_ZnCu2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75487422 _cell_length_b 2.75487422 _cell_length_c 5.90103730 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCu2B _chemical_formula_sum 'Zn1 Cu2 B1' _cell_volume 44.78493103 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.74119261 1 Cu Cu1 1 1.37743711 1.37743711 5.58211686 1 Cu Cu2 1 0.00000000 0.00000000 1.36124414 1 Zn Zn3 1 1.37743711 1.37743711 3.06803964 1 [/CIF]
BCu2Zn
P4mm
99
tetragonal
4mm
7,537.541941
false
[CIF] data_BaLiScCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35847518 _cell_length_b 5.35847518 _cell_length_c 5.35847518 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiScCr _chemical_formula_sum 'Ba1 Li1 Sc1 Cr1' _cell_volume 108.79493415 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.68352121 5.68352121 5.68352121 1 Cr Cr1 1 3.78901414 3.78901414 3.78901414 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 1.89450707 1.89450707 1.89450707 1 [/CIF]
BaCrLiSc
F-43m
216
cubic
-43m
3,681.745448
false
[CIF] data_MnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68579834 _cell_length_b 3.68579834 _cell_length_c 3.68579834 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAu _chemical_formula_sum 'Mn1 Au1' _cell_volume 35.40623213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.60625300 2.60625300 2.60625300 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuMn
Fm-3m
225
cubic
m-3m
11,814.232338
false
[CIF] data_SrAl2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24611931 _cell_length_b 4.24611931 _cell_length_c 5.58554176 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAl2Se _chemical_formula_sum 'Sr1 Al2 Se1' _cell_volume 100.70468823 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.12305966 0.00000000 2.79277088 1 Al Al1 1 0.00000000 2.12305966 2.79277088 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 2.12305966 2.12305966 0.00000000 1 [/CIF]
Al2SeSr
P4/mmm
123
tetragonal
4/mmm
3,636.577423
false
[CIF] data_KCu2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.63916012 _cell_length_b 4.43220016 _cell_length_c 6.97157559 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.79040312 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCu2W _chemical_formula_sum 'K1 Cu2 W1' _cell_volume 81.45182117 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94972924 0.00000000 6.71622858 1 Cu Cu1 1 2.37661608 2.21610008 1.29437477 1 K K2 1 0.75232384 0.00000000 3.34486886 1 W W3 1 0.67074730 2.21610008 6.05280136 1 [/CIF]
Cu2KW
Pm
6
monoclinic
m
7,135.985167
false
[CIF] data_Mn2CdAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83470718 _cell_length_b 4.83470718 _cell_length_c 2.93848848 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.78823878 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CdAs _chemical_formula_sum 'Mn2 Cd1 As1' _cell_volume 66.09415204 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 2.91672975 -0.00000000 0.00000000 1 Mn Mn2 1 1.45836487 -1.92789271 1.46924424 1 Mn Mn3 1 1.45836488 1.92789270 1.46924424 1 [/CIF]
AsCdMn2
Cmmm
65
orthorhombic
mmm
7,467.02432
false
[CIF] data_UFeS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75497039 _cell_length_b 5.75497039 _cell_length_c 8.50991272 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 142.03262077 _symmetry_Int_Tables_number 1 _chemical_formula_structural UFeS3 _chemical_formula_sum 'U2 Fe2 S6' _cell_volume 173.39501412 _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 Fe Fe0 1 0.00000000 0.00000000 4.25495636 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 S S2 1 1.87208600 1.48882910 3.79044082 1 S S3 1 1.87208600 4.54045997 2.12747818 1 S S4 1 1.87208600 1.48882910 0.46451554 1 S S5 1 1.87208600 -1.48882910 8.04539718 1 S S6 1 1.87208600 -4.54045997 6.38243454 1 S S7 1 1.87208600 -1.48882910 4.71947190 1 U U8 1 1.87208600 -2.85557496 2.12747818 1 U U9 1 1.87208600 2.85557496 6.38243454 1 [/CIF]
Fe2S6U2
Cmcm
63
orthorhombic
mmm
7,471.087528
false
[CIF] data_CaCdHgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48365338 _cell_length_b 5.48365338 _cell_length_c 5.48365338 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCdHgTe _chemical_formula_sum 'Ca1 Cd1 Hg1 Te1' _cell_volume 116.59904357 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 3.87752849 3.87752849 3.87752849 1 Hg Hg2 1 1.93876424 1.93876425 1.93876425 1 Te Te3 1 5.81629274 5.81629274 5.81629274 1 [/CIF]
CaCdHgTe
F-43m
216
cubic
-43m
6,845.564368
false
[CIF] data_LaCoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61800545 _cell_length_b 3.61800545 _cell_length_c 6.47104587 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.69245895 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCoP2 _chemical_formula_sum 'La1 Co1 P2' _cell_volume 76.96052803 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 0.00000000 0.00000000 3.23552293 1 P P2 1 1.95213524 0.00000000 5.33403626 1 P P3 1 1.95213524 0.00000000 1.13700961 1 [/CIF]
CoLaP2
Cmmm
65
orthorhombic
mmm
5,605.277495
false
[CIF] data_LiNb2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22714826 _cell_length_b 5.22714826 _cell_length_c 5.22714826 _cell_angle_alpha 143.58676549 _cell_angle_beta 130.98421698 _cell_angle_gamma 62.57366454 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNb2Rh _chemical_formula_sum 'Li1 Nb2 Rh1' _cell_volume 63.27578097 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 1.63319441 0.00000000 2.35079574 1 Nb Nb2 1 0.00000000 2.16831817 2.11621123 1 Rh Rh3 1 0.00000000 0.00000000 4.46700697 1 [/CIF]
LiNb2Rh
Immm
71
orthorhombic
mmm
7,758.952926
false
[CIF] data_Hf2AgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22325604 _cell_length_b 3.22325604 _cell_length_c 7.12108001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2AgRu _chemical_formula_sum 'Hf2 Ag1 Ru1' _cell_volume 73.98360267 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 3.56054001 1 Hf Hf1 1 1.61162802 1.61162802 5.49229382 1 Hf Hf2 1 1.61162802 1.61162802 1.62878619 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgHf2Ru
P4/mmm
123
tetragonal
4/mmm
12,701.865989
false
[CIF] data_TiBPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66354330 _cell_length_b 5.66354330 _cell_length_c 5.66354330 _cell_angle_alpha 147.43553253 _cell_angle_beta 147.43553253 _cell_angle_gamma 46.71933519 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBPb _chemical_formula_sum 'Ti1 B1 Pb1' _cell_volume 52.43770156 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.77578152 1 Pb Pb1 1 0.00000000 -0.00000000 3.36369142 1 Ti Ti2 1 0.00000000 -0.00000000 6.25917727 1 [/CIF]
BPbTi
I4mm
107
tetragonal
4mm
8,419.614834
false
[CIF] data_HfVNiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37528196 _cell_length_b 4.37528196 _cell_length_c 4.37528196 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfVNiOs _chemical_formula_sum 'Hf1 V1 Ni1 Os1' _cell_volume 59.22473665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54689577 1.54689577 1.54689577 1 Ni Ni1 1 4.64068731 4.64068731 4.64068731 1 Os Os2 1 3.09379154 3.09379154 3.09379154 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfNiOsV
F-43m
216
cubic
-43m
13,412.081573
false
[CIF] data_TaVF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22590526 _cell_length_b 4.22590526 _cell_length_c 4.22590526 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaVF3 _chemical_formula_sum 'Ta1 V1 F3' _cell_volume 75.46737938 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy F F0 1 2.11295263 0.00000000 0.00000000 1 F F1 1 0.00000000 2.11295263 0.00000000 1 F F2 1 0.00000000 0.00000000 2.11295263 1 Ta Ta3 1 2.11295263 2.11295263 2.11295263 1 V V4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
F3TaV
Pm-3m
221
cubic
m-3m
6,356.443681
false
[CIF] data_NaCa2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30538615 _cell_length_b 5.30538615 _cell_length_c 5.30538615 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCa2Ni _chemical_formula_sum 'Na1 Ca2 Ni1' _cell_volume 105.59321155 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.75147452 3.75147452 3.75147452 1 Ca Ca1 1 1.87573726 1.87573726 1.87573726 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 5.62721178 5.62721178 5.62721178 1 [/CIF]
Ca2NaNi
F-43m
216
cubic
-43m
2,545.052463
false
[CIF] data_LuCo2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49012382 _cell_length_b 4.49012382 _cell_length_c 4.49012382 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuCo2Sn _chemical_formula_sum 'Lu1 Co2 Sn1' _cell_volume 64.01178730 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Lu Lu0 1 3.17499700 3.17499700 3.17499700 1 Co Co1 1 4.76249550 4.76249550 4.76249550 1 Co Co2 1 1.58749850 1.58749850 1.58749850 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2LuSn
Fm-3m
225
cubic
m-3m
10,675.901634
false
[CIF] data_BIrW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78222247 _cell_length_b 2.78222247 _cell_length_c 6.75180805 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BIrW2 _chemical_formula_sum 'B1 Ir1 W2' _cell_volume 52.26413832 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.00000000 0.00000000 3.37590402 1 W W2 1 1.39111124 1.39111124 5.37617760 1 W W3 1 1.39111124 1.39111124 1.37563045 1 [/CIF]
BIrW2
P4/mmm
123
tetragonal
4/mmm
18,132.565847
false
[CIF] data_TcBi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30900184 _cell_length_b 3.30900184 _cell_length_c 8.68551620 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.58783325 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcBi2Au _chemical_formula_sum 'Tc1 Bi2 Au1' _cell_volume 95.06548331 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30717247 0.00000000 2.49088879 1 Bi Bi1 1 0.00000000 0.00000000 0.49270093 1 Bi Bi2 1 2.30717247 0.00000000 5.87619762 1 Tc Tc3 1 0.00000000 0.00000000 4.16848695 1 [/CIF]
AuBi2Tc
Cmm2
35
orthorhombic
mm2
12,468.75824
false
[CIF] data_TaInCoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54377297 _cell_length_b 4.54377297 _cell_length_c 4.54377297 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaInCoW _chemical_formula_sum 'Ta1 In1 Co1 W1' _cell_volume 66.33379947 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.81939902 4.81939902 4.81939902 1 Ta Ta2 1 3.21293268 3.21293268 3.21293268 1 W W3 1 1.60646634 1.60646634 1.60646634 1 [/CIF]
CoInTaW
F-43m
216
cubic
-43m
13,481.289782
false
[CIF] data_Re2TcAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88024727 _cell_length_b 4.88024727 _cell_length_c 4.83774502 _cell_angle_alpha 100.63699041 _cell_angle_beta 100.63699041 _cell_angle_gamma 33.25571426 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2TcAg _chemical_formula_sum 'Re2 Tc1 Ag1' _cell_volume 62.00029287 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 6.78101335 -0.00000000 1.19361771 1 Re Re1 1 8.34922739 -0.00000000 4.62315536 1 Re Re2 1 1.62595583 -0.00000000 3.56234669 1 Tc Tc3 1 4.29479105 -0.00000000 2.48870581 1 [/CIF]
AgRe2Tc
Cm
8
monoclinic
m
15,512.264871
false
[CIF] data_MgBBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87092646 _cell_length_b 4.87092646 _cell_length_c 3.54120996 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBBr2 _chemical_formula_sum 'Mg1 B1 Br2' _cell_volume 84.01848043 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 0.00000000 2.43546323 1.77060498 1 Br Br2 1 2.43546323 0.00000000 1.77060498 1 Mg Mg3 1 2.43546323 2.43546323 0.00000000 1 [/CIF]
BBr2Mg
P4/mmm
123
tetragonal
4/mmm
3,852.472877
false
[CIF] data_KIrW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62957796 _cell_length_b 4.62957796 _cell_length_c 4.62957796 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KIrW2 _chemical_formula_sum 'K1 Ir1 W2' _cell_volume 70.16317087 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63680299 1.63680299 1.63680299 1 K K1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 4.91040896 4.91040896 4.91040896 1 W W3 1 3.27360597 3.27360597 3.27360597 1 [/CIF]
IrKW2
F-43m
216
cubic
-43m
14,176.313356
false
[CIF] data_Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.64854842 _cell_length_b 2.64854842 _cell_length_c 2.64854842 _cell_angle_alpha 66.90446603 _cell_angle_beta 66.90446603 _cell_angle_gamma 66.90446603 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn _chemical_formula_sum Zn1 _cell_volume 15.08341661 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zn Zn0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Zn3
R-3m
166
trigonal
-3m
7,197.709043
false
[CIF] data_ZrScRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88089803 _cell_length_b 5.88089803 _cell_length_c 5.88089803 _cell_angle_alpha 147.60034667 _cell_angle_beta 147.60034667 _cell_angle_gamma 46.47568585 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrScRu _chemical_formula_sum 'Zr1 Sc1 Ru1' _cell_volume 58.18606946 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 0.00000000 -0.00000000 10.78240003 1 Sc Sc1 1 -0.00000000 0.00000000 6.98965200 1 Zr Zr2 1 0.00000000 -0.00000000 3.84318741 1 [/CIF]
RuScZr
I4mm
107
tetragonal
4mm
6,770.739992
false
[CIF] data_CaIr2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38238043 _cell_length_b 5.38238043 _cell_length_c 5.38238043 _cell_angle_alpha 135.16298882 _cell_angle_beta 135.16298882 _cell_angle_gamma 65.27705693 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaIr2Pb _chemical_formula_sum 'Ca1 Ir2 Pb1' _cell_volume 76.38926570 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 2.05267288 -0.00000000 2.26622413 1 Ir Ir2 1 0.00000000 -0.00000000 4.53244826 1 Pb Pb3 1 -0.00000000 2.05267288 2.26622413 1 [/CIF]
CaIr2Pb
I-4m2
119
tetragonal
-42m
13,732.066217
false
[CIF] data_NbGeRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13285549 _cell_length_b 5.13285549 _cell_length_c 5.13285549 _cell_angle_alpha 145.70949286 _cell_angle_beta 127.19821415 _cell_angle_gamma 64.48382177 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbGeRu2 _chemical_formula_sum 'Nb1 Ge1 Ru2' _cell_volume 59.97139869 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 0.00000000 0.00000000 4.34138534 1 Ru Ru2 1 1.51314086 0.00000000 1.99963071 1 Ru Ru3 1 0.00000000 2.28231977 2.34175463 1 [/CIF]
GeNbRu2
Immm
71
orthorhombic
mmm
10,180.813048
false
[CIF] data_PdW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56045266 _cell_length_b 4.56045266 _cell_length_c 2.65553544 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PdW2 _chemical_formula_sum 'Pd1 W2' _cell_volume 47.82980803 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 0.00000000 2.63297857 0.90096409 1 W W2 1 2.28022633 1.31648929 1.75457135 1 [/CIF]
PdW2
P-3m1
164
trigonal
-3m
16,459.643144
false
[CIF] data_SrBe4Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83861857 _cell_length_b 4.83861857 _cell_length_c 4.83861857 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBe4Tc _chemical_formula_sum 'Sr1 Be4 Tc1' _cell_volume 80.10307071 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.61745409 2.61745409 4.22538591 1 Be Be1 1 2.61745409 4.22538591 2.61745409 1 Be Be2 1 4.22538591 2.61745409 2.61745409 1 Be Be3 1 4.22538591 4.22538591 4.22538591 1 Sr Sr4 1 0.00000000 0.00000000 0.00000000 1 Tc Tc5 1 1.71071000 1.71071000 1.71071000 1 [/CIF]
Be4SrTc
F-43m
216
cubic
-43m
4,613.984956
false
[CIF] data_BaNaSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21812418 _cell_length_b 6.21812418 _cell_length_c 6.21812418 _cell_angle_alpha 132.16863253 _cell_angle_beta 132.16863253 _cell_angle_gamma 69.96282019 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNaSn2 _chemical_formula_sum 'Ba1 Na1 Sn2' _cell_volume 129.49449490 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.09474606 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 2.52077676 0.00000000 2.54737303 1 Sn Sn3 1 0.00000000 2.52077676 2.54737303 1 [/CIF]
BaNaSn2
I4/mmm
139
tetragonal
4/mmm
5,100.274295
false
[CIF] data_ScPRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98738470 _cell_length_b 4.98738470 _cell_length_c 4.98738470 _cell_angle_alpha 136.11279436 _cell_angle_beta 136.11279436 _cell_angle_gamma 63.80600152 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScPRh2 _chemical_formula_sum 'Sc1 P1 Rh2' _cell_volume 58.82871481 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 1.86375459 -0.00000000 2.11700519 1 Rh Rh2 1 0.00000000 -0.00000000 4.23401037 1 Sc Sc3 1 0.00000000 1.86375459 2.11700518 1 [/CIF]
PRh2Sc
I-4m2
119
tetragonal
-42m
7,952.602693
false
[CIF] data_Ga2ReRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02531710 _cell_length_b 3.02531710 _cell_length_c 6.22250843 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2ReRu _chemical_formula_sum 'Ga2 Re1 Ru1' _cell_volume 56.95177943 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51265855 1.51265855 1.49709378 1 Ga Ga1 1 1.51265855 1.51265855 4.72541465 1 Re Re2 1 0.00000000 0.00000000 3.11125422 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2ReRu
P4/mmm
123
tetragonal
4/mmm
12,441.993824
false
[CIF] data_LaAlAgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86766866 _cell_length_b 4.86766866 _cell_length_c 4.86766866 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAlAgRu _chemical_formula_sum 'La1 Al1 Ag1 Ru1' _cell_volume 81.55451849 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.44196152 3.44196152 3.44196152 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 5.16294228 5.16294228 5.16294228 1 Ru Ru3 1 1.72098076 1.72098076 1.72098076 1 [/CIF]
AgAlLaRu
F-43m
216
cubic
-43m
7,631.850614
false
[CIF] data_HgGeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25090931 _cell_length_b 3.25090931 _cell_length_c 8.14114741 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgGeAs _chemical_formula_sum 'Hg1 Ge1 As1' _cell_volume 74.51195526 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 1.87691338 0.43692862 1 Ge Ge1 1 0.00000000 0.00000000 2.30463338 1 Hg Hg2 1 1.62545464 0.93845669 5.39958541 1 [/CIF]
AsGeHg
P3m1
156
trigonal
3m
7,758.745965
false
[CIF] data_K3OsCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11439087 _cell_length_b 6.11439087 _cell_length_c 6.11439087 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3OsCl _chemical_formula_sum 'K3 Os1 Cl1' _cell_volume 228.59124568 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.05719544 0.00000000 3.05719544 1 K K1 1 3.05719544 3.05719544 0.00000000 1 K K2 1 0.00000000 3.05719544 3.05719544 1 Os Os3 1 3.05719544 3.05719544 3.05719544 1 Cl Cl4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ClK3Os
Pm-3m
221
cubic
m-3m
2,491.469873
false
[CIF] data_ZrNiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68489810 _cell_length_b 3.68489810 _cell_length_c 3.68489810 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNiO3 _chemical_formula_sum 'Zr1 Ni1 O3' _cell_volume 50.03529299 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 O O1 1 0.00000000 0.00000000 1.84244905 1 O O2 1 1.84244905 0.00000000 0.00000000 1 O O3 1 0.00000000 1.84244905 0.00000000 1 Zr Zr4 1 1.84244905 1.84244905 1.84244905 1 [/CIF]
NiO3Zr
Pm-3m
221
cubic
m-3m
6,568.295418
false