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_SrNbIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20957468 _cell_length_b 3.20957468 _cell_length_c 7.71728092 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNbIr2 _chemical_formula_sum 'Sr1 Nb1 Ir2' _cell_volume 79.49856327 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60478734 1.60478734 2.38191167 1 Ir Ir1 1 1.60478734 1.60478734 5.33536925 1 Nb Nb2 1 0.00000000 0.00000000 3.85864046 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir2NbSr
P4/mmm
123
tetragonal
4/mmm
11,800.732576
false
[CIF] data_LiTlCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16153500 _cell_length_b 5.16153500 _cell_length_c 5.16153500 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTlCl _chemical_formula_sum 'Li1 Tl1 Cl1' _cell_volume 97.23477913 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.64975640 3.64975640 3.64975640 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.47463460 5.47463460 5.47463460 1 [/CIF]
ClLiTl
F-43m
216
cubic
-43m
4,214.370116
false
[CIF] data_LiNiIrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18597553 _cell_length_b 4.18597553 _cell_length_c 4.18597553 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNiIrPd _chemical_formula_sum 'Li1 Ni1 Ir1 Pd1' _cell_volume 51.86508053 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.43989752 4.43989752 4.43989752 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 2.95993168 2.95993168 2.95993168 1 Pd Pd3 1 1.47996584 1.47996584 1.47996584 1 [/CIF]
IrLiNiPd
F-43m
216
cubic
-43m
11,662.700306
false
[CIF] data_Fe4Hg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47695942 _cell_length_b 5.47695942 _cell_length_c 4.73811493 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe4Hg3 _chemical_formula_sum 'Fe4 Hg3' _cell_volume 123.08787369 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 3.61533753 1 Fe Fe1 1 0.00000000 0.00000000 1.12277740 1 Fe Fe2 1 -0.00000000 3.16212400 0.00000000 1 Fe Fe3 1 2.73847971 1.58106200 0.00000000 1 Hg Hg4 1 2.73847971 0.00000000 2.36905747 1 Hg Hg5 1 -1.36923986 2.37159300 2.36905747 1 Hg Hg6 1 1.36923986 2.37159300 2.36905747 1 [/CIF]
Fe4Hg3
P6/mmm
191
hexagonal
6/mmm
11,131.834268
false
[CIF] data_BaEr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21189439 _cell_length_b 5.21189439 _cell_length_c 5.21189439 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaEr3 _chemical_formula_sum 'Ba1 Er3' _cell_volume 141.57508163 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Er Er1 1 2.60594720 2.60594720 0.00000000 1 Er Er2 1 2.60594720 0.00000000 2.60594720 1 Er Er3 1 0.00000000 2.60594720 2.60594720 1 [/CIF]
BaEr3
Pm-3m
221
cubic
m-3m
7,496.07309
false
[CIF] data_MgZrTcBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83564275 _cell_length_b 4.83564275 _cell_length_c 4.83564275 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZrTcBi _chemical_formula_sum 'Mg1 Zr1 Tc1 Bi1' _cell_volume 79.95536814 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.41931578 3.41931578 3.41931578 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.70965789 1.70965789 1.70965789 1 Zr Zr3 1 5.12897367 5.12897367 5.12897367 1 [/CIF]
BiMgTcZr
F-43m
216
cubic
-43m
8,793.632767
false
[CIF] data_ScNiPd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20337000 _cell_length_b 5.20337000 _cell_length_c 5.20337000 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNiPd4 _chemical_formula_sum 'Sc1 Ni1 Pd4' _cell_volume 99.61830032 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83966911 1.83966911 1.83966911 1 Pd Pd1 1 2.76266252 2.76266252 4.59601390 1 Pd Pd2 1 2.76266252 4.59601390 2.76266252 1 Pd Pd3 1 4.59601390 2.76266252 2.76266252 1 Pd Pd4 1 4.59601390 4.59601390 4.59601390 1 Sc Sc5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NiPd4Sc
F-43m
216
cubic
-43m
8,823.398902
false
[CIF] data_LiScTaTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66407210 _cell_length_b 4.66407210 _cell_length_c 4.66407210 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiScTaTi _chemical_formula_sum 'Li1 Sc1 Ta1 Ti1' _cell_volume 71.74320405 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 1.64899851 1.64899851 1.64899850 1 Ta Ta2 1 4.94699552 4.94699552 4.94699552 1 Ti Ti3 1 3.29799701 3.29799701 3.29799701 1 [/CIF]
LiScTaTi
F-43m
216
cubic
-43m
6,497.241142
false
[CIF] data_K2TiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67203906 _cell_length_b 4.67203906 _cell_length_c 5.89811052 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2TiBi _chemical_formula_sum 'K2 Ti1 Bi1' _cell_volume 128.74365550 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.33601953 2.33601953 0.00000000 1 K K1 1 2.33601953 0.00000000 2.94905526 1 K K2 1 0.00000000 2.33601953 2.94905526 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiK2Ti
P4/mmm
123
tetragonal
4/mmm
4,321.411339
false
[CIF] data_Zr2SiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00440174 _cell_length_b 5.00440174 _cell_length_c 5.00440174 _cell_angle_alpha 129.49068678 _cell_angle_beta 129.49068678 _cell_angle_gamma 74.22230887 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2SiPt _chemical_formula_sum 'Zr2 Si1 Pt1' _cell_volume 72.77071509 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.99084264 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 2.13508920 -0.00000000 1.99542132 1 Zr Zr3 1 0.00000000 2.13508920 1.99542132 1 [/CIF]
PtSiZr2
I4/mmm
139
tetragonal
4/mmm
9,255.697213
false
[CIF] data_HgIrPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79015548 _cell_length_b 3.58617033 _cell_length_c 6.80297753 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgIrPt2 _chemical_formula_sum 'Hg1 Ir1 Pt2' _cell_volume 68.07040805 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.40148877 1 Ir Ir1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.39507774 1.79308516 1.49295628 1 Pt Pt3 1 1.39507774 1.79308516 5.31002125 1 [/CIF]
HgIrPt2
Pmmm
47
orthorhombic
mmm
19,100.336655
false
[CIF] data_GaAg2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.42049055 _cell_length_b 9.42049055 _cell_length_c 9.42049055 _cell_angle_alpha 17.82252324 _cell_angle_beta 17.82252324 _cell_angle_gamma 17.82252324 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAg2Pd _chemical_formula_sum 'Ga1 Ag2 Pd1' _cell_volume 68.37206241 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 20.85915705 1 Ag Ag1 1 -0.00000000 -0.00000000 6.94654211 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 -0.00000000 0.00000000 13.90284958 1 [/CIF]
Ag2GaPd
R-3m
166
trigonal
-3m
9,517.49926
false
[CIF] data_BaPRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00793747 _cell_length_b 4.10980180 _cell_length_c 5.52997094 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.99655164 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaPRh2 _chemical_formula_sum 'Ba1 P1 Rh2' _cell_volume 91.07495595 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.41483156 2.05490090 2.96076068 1 P P1 1 0.42682478 0.00000000 4.77867215 1 Rh Rh2 1 0.50369141 2.05490090 0.25905388 1 Rh Rh3 1 2.52229067 0.00000000 0.29521498 1 [/CIF]
BaPRh2
Pm
6
monoclinic
m
6,821.054038
false
[CIF] data_KLaFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15852824 _cell_length_b 5.15852824 _cell_length_c 3.69873347 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.69379985 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLaFe2 _chemical_formula_sum 'K1 La1 Fe2' _cell_volume 98.09473500 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 1.74760071 -1.89697000 1.84936674 1 Fe Fe1 1 1.74760071 1.89696999 1.84936674 1 K K2 1 -0.00000000 -0.00000000 0.00000000 1 La La3 1 3.49520142 0.00000000 0.00000000 1 [/CIF]
Fe2KLa
Cmmm
65
orthorhombic
mmm
4,903.910719
false
[CIF] data_TlCuAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14759809 _cell_length_b 4.14759809 _cell_length_c 4.30252288 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCuAu2 _chemical_formula_sum 'Tl1 Cu1 Au2' _cell_volume 74.01445048 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.07379904 0.00000000 2.15126144 1 Au Au1 1 0.00000000 2.07379904 2.15126144 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 2.07379904 2.07379904 0.00000000 1 [/CIF]
Au2CuTl
P4/mmm
123
tetragonal
4/mmm
14,849.965089
false
[CIF] data_Hf2HgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33005487 _cell_length_b 5.33005487 _cell_length_c 5.05237871 _cell_angle_alpha 105.55466027 _cell_angle_beta 105.55466027 _cell_angle_gamma 35.27590324 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2HgPd _chemical_formula_sum 'Hf2 Hg1 Pd1' _cell_volume 79.54445701 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.05204032 -0.00000000 0.14821461 1 Hf Hf1 1 1.51116569 -0.00000000 3.53676873 1 Hg Hg2 1 4.25164000 -0.00000000 2.48067912 1 Pd Pd3 1 7.29112494 0.00000000 1.10669230 1 [/CIF]
Hf2HgPd
Cm
8
monoclinic
m
13,861.196321
false
[CIF] data_Sr2CuRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58740103 _cell_length_b 3.58740103 _cell_length_c 7.79575926 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2CuRu _chemical_formula_sum 'Sr2 Cu1 Ru1' _cell_volume 100.32710372 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 0.00000000 0.00000000 3.89787963 1 Sr Sr2 1 1.79370051 1.79370051 5.74136637 1 Sr Sr3 1 1.79370051 1.79370051 2.05439289 1 [/CIF]
CuRuSr2
P4/mmm
123
tetragonal
4/mmm
5,625.042051
false
[CIF] data_Hf2GePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69775184 _cell_length_b 5.69775184 _cell_length_c 5.69775184 _cell_angle_alpha 137.02715746 _cell_angle_beta 137.02715746 _cell_angle_gamma 62.39626812 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2GePb _chemical_formula_sum 'Hf2 Ge1 Pb1' _cell_volume 84.90990409 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 2.08697661 -0.00000000 2.43687471 1 Hf Hf2 1 0.00000000 -0.00000000 4.87374941 1 Pb Pb3 1 0.00000000 2.08697661 2.43687471 1 [/CIF]
GeHf2Pb
I-4m2
119
tetragonal
-42m
12,453.959284
false
[CIF] data_W3Br4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38052278 _cell_length_b 5.38052278 _cell_length_c 5.97529564 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural W3Br4 _chemical_formula_sum 'W3 Br4' _cell_volume 149.80937040 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 4.43405555 1 Br Br1 1 0.00000000 0.00000000 1.54124009 1 Br Br2 1 -0.00000000 3.10644628 0.00000000 1 Br Br3 1 2.69026139 1.55322314 0.00000000 1 W W4 1 1.34513070 2.32983471 2.98764782 1 W W5 1 2.69026139 0.00000000 2.98764782 1 W W6 1 -1.34513070 2.32983471 2.98764782 1 [/CIF]
Br4W3
P6/mmm
191
hexagonal
6/mmm
9,655.973828
false
[CIF] data_SrZrSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58314379 _cell_length_b 5.58314379 _cell_length_c 5.58314379 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZrSb3 _chemical_formula_sum 'Sr1 Zr1 Sb3' _cell_volume 174.03493639 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 2.79157190 0.00000000 2.79157190 1 Sb Sb1 1 2.79157190 2.79157190 0.00000000 1 Sb Sb2 1 0.00000000 2.79157190 2.79157190 1 Zr Zr3 1 2.79157190 2.79157190 2.79157190 1 Sr Sr4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sb3SrZr
Pm-3m
221
cubic
m-3m
5,191.711376
false
[CIF] data_LiAs2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56695523 _cell_length_b 3.56695523 _cell_length_c 9.09875339 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAs2Br _chemical_formula_sum 'Li1 As2 Br1' _cell_volume 115.76498265 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78347762 1.78347762 0.60326209 1 As As1 1 0.00000000 0.00000000 1.43201749 1 Br Br2 1 1.78347762 1.78347762 5.74667747 1 Li Li3 1 0.00000000 0.00000000 5.86617303 1 [/CIF]
As2BrLi
P4mm
99
tetragonal
4mm
3,395.068126
false
[CIF] data_YAg2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.21242137 _cell_length_b 9.21242137 _cell_length_c 9.21242137 _cell_angle_alpha 20.46639014 _cell_angle_beta 20.46639014 _cell_angle_gamma 20.46639014 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAg2P _chemical_formula_sum 'Y1 Ag2 P1' _cell_volume 83.66247483 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 19.98191289 1 Ag Ag1 1 0.00000000 0.00000000 7.06758982 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 0.00000000 0.00000000 13.52475136 1 [/CIF]
Ag2PY
R-3m
166
trigonal
-3m
6,661.331734
false
[CIF] data_KSi3P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83589180 _cell_length_b 4.83589180 _cell_length_c 4.83589180 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSi3P _chemical_formula_sum 'K1 Si3 P1' _cell_volume 113.09143784 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 2.41794590 2.41794590 2.41794590 1 Si Si2 1 0.00000000 2.41794590 0.00000000 1 Si Si3 1 0.00000000 0.00000000 2.41794590 1 Si Si4 1 2.41794590 0.00000000 0.00000000 1 [/CIF]
KPSi3
Pm-3m
221
cubic
m-3m
2,266.030136
false
[CIF] data_Ba2ReP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32122661 _cell_length_b 5.32122661 _cell_length_c 5.32122661 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2ReP _chemical_formula_sum 'Ba2 Re1 P1' _cell_volume 106.54185763 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.76267542 3.76267542 3.76267542 1 Ba Ba1 1 1.88133771 1.88133771 1.88133771 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 5.64401313 5.64401313 5.64401313 1 [/CIF]
Ba2PRe
F-43m
216
cubic
-43m
7,665.633534
false
[CIF] data_MgTiCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56334239 _cell_length_b 4.56334239 _cell_length_c 3.78419536 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTiCd2 _chemical_formula_sum 'Mg1 Ti1 Cd2' _cell_volume 78.80243901 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28167119 0.00000000 1.89209768 1 Cd Cd1 1 0.00000000 2.28167119 1.89209768 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 2.28167119 2.28167119 0.00000000 1 [/CIF]
Cd2MgTi
P4/mmm
123
tetragonal
4/mmm
6,258.310602
false
[CIF] data_SnIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34057523 _cell_length_b 5.34057523 _cell_length_c 5.34057523 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnIr2 _chemical_formula_sum 'Sn2 Ir4' _cell_volume 107.70828563 _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 Ir Ir0 1 2.83226772 2.83226772 4.72044620 1 Ir Ir1 1 4.72044620 2.83226772 2.83226772 1 Ir Ir2 1 2.83226772 4.72044620 2.83226772 1 Ir Ir3 1 4.72044620 4.72044620 4.72044620 1 Sn Sn4 1 0.00000000 0.00000000 0.00000000 1 Sn Sn5 1 1.88817848 1.88817848 1.88817848 1 [/CIF]
Ir4Sn2
Fd-3m
227
cubic
m-3m
15,513.946086
false
[CIF] data_HfGeBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84158212 _cell_length_b 3.84158212 _cell_length_c 8.10442949 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGeBr2 _chemical_formula_sum 'Hf1 Ge1 Br2' _cell_volume 119.60317012 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 7.48218639 1 Br Br1 1 1.92079106 1.92079106 2.68942210 1 Ge Ge2 1 0.00000000 0.00000000 4.91131434 1 Hf Hf3 1 1.92079106 1.92079106 5.17815098 1 [/CIF]
Br2GeHf
P4mm
99
tetragonal
4mm
5,705.355488
false
[CIF] data_TeP2Pt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.36544217 _cell_length_b 7.36544217 _cell_length_c 4.51576121 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeP2Pt3 _chemical_formula_sum 'Te2 P4 Pt6' _cell_volume 212.15791991 _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 P P0 1 0.00000000 0.00000000 0.00000000 1 P P1 1 3.68272109 0.00000000 0.00000000 1 P P2 1 -1.84136054 3.18933002 0.00000000 1 P P3 1 1.84136054 3.18933002 0.00000000 1 Pt Pt4 1 -1.93398860 5.36902886 3.26424156 1 Pt Pt5 1 0.00000000 2.01926234 3.26424156 1 Pt Pt6 1 1.93398860 5.36902886 3.26424156 1 Pt Pt7 1 5.61670969 1.00963117 1.25151965 1 Pt Pt8 1 1.74873248 1.00963117 1.25151965 1 Pt Pt9 1 3.68272109 4.35939769 1.25151965 1 Te Te10 1 -0.00000000 4.25244002 1.75164472 1 Te Te11 1 3.68272109 2.12622001 2.76411649 1 [/CIF]
P4Pt6Te2
P-3m1
164
trigonal
-3m
12,128.558558
false
[CIF] data_FeCo2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90093987 _cell_length_b 4.11915310 _cell_length_c 4.13310513 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCo2Ru _chemical_formula_sum 'Fe1 Co2 Ru1' _cell_volume 49.38819033 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45046994 2.05957655 0.00000000 1 Co Co1 1 0.00000000 2.05957655 2.06655256 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 1.45046994 0.00000000 2.06655256 1 [/CIF]
Co2FeRu
Pmmm
47
orthorhombic
mmm
9,238.751811
false
[CIF] data_ErTm2Ta _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28521638 _cell_length_b 5.28521638 _cell_length_c 5.28521638 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErTm2Ta _chemical_formula_sum 'Er1 Tm2 Ta1' _cell_volume 104.39346638 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Er Er0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 3.73721234 3.73721234 3.73721234 1 Tm Tm2 1 5.60581851 5.60581851 5.60581851 1 Tm Tm3 1 1.86860617 1.86860617 1.86860617 1 [/CIF]
ErTaTm2
Fm-3m
225
cubic
m-3m
10,913.085634
false
[CIF] data_Ce2PaSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56482736 _cell_length_b 5.56482736 _cell_length_c 5.56482736 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2PaSb _chemical_formula_sum 'Ce2 Pa1 Sb1' _cell_volume 121.85408384 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 5.90239074 5.90239074 5.90239074 1 Ce Ce1 1 1.96746358 1.96746358 1.96746358 1 Pa Pa2 1 3.93492716 3.93492716 3.93492716 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ce2PaSb
Fm-3m
225
cubic
m-3m
8,626.444776
false
[CIF] data_Ba2ScSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59503608 _cell_length_b 4.59503608 _cell_length_c 7.14963370 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2ScSb _chemical_formula_sum 'Ba2 Sc1 Sb1' _cell_volume 150.95991533 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.29751804 2.29751804 1.90388068 1 Ba Ba1 1 2.29751804 2.29751804 5.24575302 1 Sb Sb2 1 0.00000000 0.00000000 3.57481685 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2SbSc
P4/mmm
123
tetragonal
4/mmm
4,855.010551
false
[CIF] data_LiAgRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.64990993 _cell_length_b 2.64990993 _cell_length_c 9.56098324 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 116.92178993 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAgRu2 _chemical_formula_sum 'Li1 Ag1 Ru2' _cell_volume 59.86144734 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.78049162 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 1.38611589 0.00000000 2.27486482 1 Ru Ru3 1 1.38611589 0.00000000 7.28611842 1 [/CIF]
AgLiRu2
Cmmm
65
orthorhombic
mmm
8,792.078243
false
[CIF] data_KMnOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47880564 _cell_length_b 5.47880564 _cell_length_c 2.50135870 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.96868471 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMnOs2 _chemical_formula_sum 'K1 Mn1 Os2' _cell_volume 65.68988635 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 2.78199400 0.00000000 0.00000000 1 Os Os2 1 1.39099700 -2.35996931 1.25067935 1 Os Os3 1 1.39099700 2.35996931 1.25067935 1 [/CIF]
KMnOs2
Cmmm
65
orthorhombic
mmm
11,994.536169
false
[CIF] data_CrAs2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02826127 _cell_length_b 3.02826127 _cell_length_c 7.58465525 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAs2W _chemical_formula_sum 'Cr1 As2 W1' _cell_volume 69.55406705 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.10602975 1 As As1 1 1.51413063 1.51413063 2.50753898 1 Cr Cr2 1 0.00000000 0.00000000 3.96437575 1 W W3 1 1.51413063 1.51413063 5.38369365 1 [/CIF]
As2CrW
P4mm
99
tetragonal
4mm
9,207.73683
false
[CIF] data_La4Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.76245287 _cell_length_b 6.76245287 _cell_length_c 6.76245287 _cell_angle_alpha 94.13999387 _cell_angle_beta 94.13999387 _cell_angle_gamma 148.82748594 _symmetry_Int_Tables_number 1 _chemical_formula_structural La4Co _chemical_formula_sum 'La4 Co1' _cell_volume 154.18766398 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.29993676 0.63507524 1.81699527 1 La La2 1 2.30599946 3.97086099 -0.00000000 1 La La3 1 5.24101146 2.30599946 -0.00000000 1 La La4 1 -0.63507524 2.29993676 1.81699527 1 [/CIF]
CoLa4
I4/m
87
tetragonal
4/m
6,618.510744
false
[CIF] data_Na2GdCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11239916 _cell_length_b 5.11239916 _cell_length_c 5.11239916 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2GdCu _chemical_formula_sum 'Na2 Gd1 Cu1' _cell_volume 94.48421660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Gd Gd1 1 3.61501211 3.61501211 3.61501211 1 Na Na2 1 5.42251817 5.42251817 5.42251817 1 Na Na3 1 1.80750606 1.80750606 1.80750606 1 [/CIF]
CuGdNa2
Fm-3m
225
cubic
m-3m
4,688.520683
false
[CIF] data_LiAsCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24795393 _cell_length_b 3.24795393 _cell_length_c 7.75684376 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.18687365 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAsCl2 _chemical_formula_sum 'Li1 As1 Cl2' _cell_volume 81.76893596 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.25240526 -0.00000000 5.81292573 1 Cl Cl1 1 0.00000000 0.00000000 0.13079598 1 Cl Cl2 1 2.25240526 -0.00000000 3.31871960 1 Li Li3 1 0.00000000 0.00000000 2.37282432 1 [/CIF]
AsCl2Li
Cmm2
35
orthorhombic
mm2
3,102.378984
false
[CIF] data_TiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11441000 _cell_length_b 3.11441000 _cell_length_c 3.11441000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiIr _chemical_formula_sum 'Ti1 Ir1' _cell_volume 30.20837442 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55720500 1.55720500 1.55720500 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrTi
Pm-3m
221
cubic
m-3m
13,197.296079
false
[CIF] data_Na2NbCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.56307100 _cell_length_b 11.56307100 _cell_length_c 11.56307100 _cell_angle_alpha 13.63560669 _cell_angle_beta 13.63560669 _cell_angle_gamma 13.63560669 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2NbCr _chemical_formula_sum 'Na2 Nb1 Cr1' _cell_volume 74.76254302 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 0.00000000 -0.00000000 8.75359822 1 Na Na2 1 -0.00000000 -0.00000000 25.60816041 1 Nb Nb3 1 0.00000000 -0.00000000 17.18087932 1 [/CIF]
CrNa2Nb
R-3m
166
trigonal
-3m
4,239.650448
false
[CIF] data_ZnBP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20092505 _cell_length_b 4.20092505 _cell_length_c 4.20092505 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnBP2 _chemical_formula_sum 'Zn1 B1 P2' _cell_volume 52.42275028 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 2.97050259 2.97050259 2.97050259 1 P P2 1 4.45575389 4.45575389 4.45575389 1 Zn Zn3 1 1.48525130 1.48525130 1.48525130 1 [/CIF]
BP2Zn
F-43m
216
cubic
-43m
4,375.665422
false
[CIF] data_ZnSbCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12353172 _cell_length_b 3.12353172 _cell_length_c 10.63819064 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnSbCl2 _chemical_formula_sum 'Zn1 Sb1 Cl2' _cell_volume 103.79097939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 1.56176586 1.56176586 1.52061042 1 Cl Cl1 1 1.56176586 1.56176586 9.11758022 1 Sb Sb2 1 0.00000000 0.00000000 5.31909532 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2SbZn
P4/mmm
123
tetragonal
4/mmm
4,128.446099
false
[CIF] data_Mo2OsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45110725 _cell_length_b 4.45110725 _cell_length_c 4.45110725 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo2OsSe _chemical_formula_sum 'Mo2 Os1 Se1' _cell_volume 62.35756936 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.72111218 4.72111218 4.72111218 1 Mo Mo1 1 1.57370406 1.57370406 1.57370406 1 Os Os2 1 3.14740812 3.14740812 3.14740812 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2OsSe
Fm-3m
225
cubic
m-3m
12,279.041292
false
[CIF] data_YNi6Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56565148 _cell_length_b 6.56565148 _cell_length_c 10.74463376 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.79790737 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNi6Sn _chemical_formula_sum 'Y4 Ni24 Sn4' _cell_volume 435.80034570 _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 Ni Ni0 1 3.77538218 -2.64445315 7.98359994 1 Ni Ni1 1 1.94323851 -1.32872016 9.34856738 1 Ni Ni2 1 5.60752585 1.32872016 9.34856738 1 Ni Ni3 1 3.77538218 2.64445315 7.98359994 1 Ni Ni4 1 5.60752585 -1.32872016 9.34856738 1 Ni Ni5 1 1.94323851 1.32872016 9.34856738 1 Ni Ni6 1 0.00000000 0.00000000 5.37231688 1 Ni Ni7 1 5.58554840 1.35977257 6.66220286 1 Ni Ni8 1 5.58554840 -1.35977257 6.66220286 1 Ni Ni9 1 3.77538218 -2.64445315 2.76103382 1 Ni Ni10 1 1.96521596 -1.35977257 4.08243090 1 Ni Ni11 1 5.58554840 1.35977257 4.08243090 1 Ni Ni12 1 3.77538218 2.64445315 2.76103382 1 Ni Ni13 1 5.58554840 -1.35977257 4.08243090 1 Ni Ni14 1 1.96521596 1.35977257 4.08243090 1 Ni Ni15 1 0.00000000 0.00000000 0.00000000 1 Ni Ni16 1 5.60752585 1.32872016 1.39606638 1 Ni Ni17 1 5.60752585 -1.32872016 1.39606638 1 Ni Ni18 1 3.77538218 0.00000000 5.37231688 1 Ni Ni19 1 1.96521596 1.35977257 6.66220286 1 Ni Ni20 1 1.96521596 -1.35977257 6.66220286 1 Ni Ni21 1 3.77538218 0.00000000 0.00000000 1 Ni Ni22 1 1.94323851 1.32872016 1.39606638 1 Ni Ni23 1 1.94323851 -1.32872016 1.39606638 1 Sn Sn24 1 3.77538218 -2.79472446 5.37231688 1 Sn Sn25 1 3.77538218 2.79472446 5.37231688 1 Sn Sn26 1 3.77538218 0.00000000 8.05262035 1 Sn Sn27 1 3.77538218 0.00000000 2.69201341 1 Y Y28 1 3.77538218 -2.72102104 0.00000000 1 Y Y29 1 3.77538218 2.72102104 0.00000000 1 Y Y30 1 0.00000000 0.00000000 8.03685228 1 Y Y31 1 0.00000000 0.00000000 2.70778148 1 [/CIF]
Ni24Sn4Y4
Cmmm
65
orthorhombic
mmm
8,531.708071
false
[CIF] data_NbZnCdMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61461434 _cell_length_b 4.61461434 _cell_length_c 4.61461434 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbZnCdMo _chemical_formula_sum 'Nb1 Zn1 Cd1 Mo1' _cell_volume 69.48502773 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.89453764 4.89453764 4.89453764 1 Mo Mo1 1 1.63151255 1.63151255 1.63151255 1 Nb Nb2 1 3.26302509 3.26302509 3.26302509 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdMoNbZn
F-43m
216
cubic
-43m
8,762.303527
false
[CIF] data_IrWCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93129243 _cell_length_b 4.93129243 _cell_length_c 2.86751978 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.23254772 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrWCl2 _chemical_formula_sum 'Ir1 W1 Cl2' _cell_volume 64.99784167 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 1.39243085 2.03483355 1.43375989 1 Cl Cl1 1 1.39243085 -2.03483355 1.43375989 1 Ir Ir2 1 2.78486170 -0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2IrW
Cmmm
65
orthorhombic
mmm
11,418.83336
false
[CIF] data_CaB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.07493220 _cell_length_b 3.13114718 _cell_length_c 6.55060953 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaB2 _chemical_formula_sum 'Ca4 B8' _cell_volume 165.62430901 _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 B B0 1 0.18948523 2.34836039 2.01112641 1 B B1 1 3.84798087 0.78278680 5.28643118 1 B B2 1 4.22695133 2.34836039 1.26417835 1 B B3 1 7.88544697 0.78278680 4.53948312 1 B B4 1 7.84360332 2.34836039 3.73463003 1 B B5 1 4.26879498 0.78278680 0.45932527 1 B B6 1 3.80613722 2.34836039 6.09128426 1 B B7 1 0.23132888 0.78278680 2.81597950 1 Ca Ca8 1 2.53604421 2.34836039 3.64721169 1 Ca Ca9 1 1.50142189 0.78278680 0.37190693 1 Ca Ca10 1 6.57351031 2.34836039 6.17870260 1 Ca Ca11 1 5.53888799 0.78278680 2.90339784 1 [/CIF]
B8Ca4
Pnma
62
orthorhombic
mmm
2,474.401518
false
[CIF] data_Ta6Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.33530161 _cell_length_b 16.24696408 _cell_length_c 2.87536955 _cell_angle_alpha 86.69312776 _cell_angle_beta 83.18580383 _cell_angle_gamma 10.12106841 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6Mo _chemical_formula_sum 'Ta6 Mo1' _cell_volume 125.27893252 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 1.64157136 2.36071886 18.35600961 1 Ta Ta2 1 1.64157136 2.36071886 4.55523707 1 Ta Ta3 1 1.64157136 2.36071886 23.07264824 1 Ta Ta4 1 1.64157136 2.36071886 9.25499227 1 Ta Ta5 1 1.64157136 2.36071886 27.77240344 1 Ta Ta6 1 1.64157136 2.36071886 13.97163090 1 [/CIF]
Mo4Ta24
Fmmm
69
orthorhombic
mmm
15,662.421701
false
[CIF] data_CdFeHgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63352311 _cell_length_b 4.63352311 _cell_length_c 4.63352311 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdFeHgPd _chemical_formula_sum 'Cd1 Fe1 Hg1 Pd1' _cell_volume 70.34269477 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63819780 1.63819781 1.63819781 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 3.27639561 3.27639561 3.27639561 1 Pd Pd3 1 4.91459341 4.91459341 4.91459341 1 [/CIF]
CdFeHgPd
F-43m
216
cubic
-43m
11,219.32793
false
[CIF] data_SrRhW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87128616 _cell_length_b 3.87128616 _cell_length_c 5.15761853 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrRhW2 _chemical_formula_sum 'Sr1 Rh1 W2' _cell_volume 77.29648896 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 1.93564308 1.93564308 0.00000000 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 0.00000000 1.93564308 2.57880926 1 W W3 1 1.93564308 0.00000000 2.57880926 1 [/CIF]
RhSrW2
P4/mmm
123
tetragonal
4/mmm
11,991.774173
false
[CIF] data_FeSeBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.53864879 _cell_length_b 6.53864879 _cell_length_c 4.78561648 _cell_angle_alpha 110.84566044 _cell_angle_beta 110.84566044 _cell_angle_gamma 28.66679313 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSeBr2 _chemical_formula_sum 'Fe1 Se1 Br2' _cell_volume 91.29161244 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.01824871 -0.00000000 0.66256687 1 Br Br1 1 2.89428915 -0.00000000 3.78857578 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 5.45626893 0.00000000 2.22557133 1 [/CIF]
Br2FeSe
C2/m
12
monoclinic
2/m
5,358.831802
false
[CIF] data_KYBeIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24070167 _cell_length_b 5.24070167 _cell_length_c 5.24070167 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KYBeIn _chemical_formula_sum 'K1 Y1 Be1 In1' _cell_volume 101.77786029 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 5.55860354 5.55860354 5.55860354 1 K K2 1 3.70573569 3.70573569 3.70573569 1 Y Y3 1 1.85286785 1.85286785 1.85286785 1 [/CIF]
BeInKY
F-43m
216
cubic
-43m
4,108.759463
false
[CIF] data_TaNb2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43955271 _cell_length_b 4.43955271 _cell_length_c 4.43955271 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNb2B _chemical_formula_sum 'Ta1 Nb2 B1' _cell_volume 61.87321080 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 4.70885675 4.70885675 4.70885675 1 Nb Nb2 1 1.56961892 1.56961892 1.56961891 1 Ta Ta3 1 3.13923783 3.13923783 3.13923783 1 [/CIF]
BNb2Ta
Fm-3m
225
cubic
m-3m
10,133.181236
false
[CIF] data_NbIrPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88159509 _cell_length_b 4.88159509 _cell_length_c 2.83437061 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.87518976 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbIrPt2 _chemical_formula_sum 'Nb1 Ir1 Pt2' _cell_volume 63.10937106 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 2.76934607 -0.00000000 0.00000000 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.38467303 2.01001822 1.41718530 1 Pt Pt3 1 1.38467304 -2.01001822 1.41718530 1 [/CIF]
IrNbPt2
Cmmm
65
orthorhombic
mmm
17,768.323451
false
[CIF] data_Nb2AlZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53624139 _cell_length_b 4.53624139 _cell_length_c 4.53624139 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2AlZn _chemical_formula_sum 'Nb2 Al1 Zn1' _cell_volume 66.00448908 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 1.60380352 1.60380352 1.60380353 1 Nb Nb2 1 4.81141058 4.81141058 4.81141058 1 Zn Zn3 1 3.20760705 3.20760705 3.20760705 1 [/CIF]
AlNb2Zn
Fm-3m
225
cubic
m-3m
6,998.301124
false
[CIF] data_Sr2CdIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07215338 _cell_length_b 4.07215338 _cell_length_c 8.81955810 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2CdIn _chemical_formula_sum 'Sr2 Cd1 In1' _cell_volume 146.24973266 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 4.71856236 1 In In1 1 2.03607669 2.03607669 6.25812048 1 Sr Sr2 1 0.00000000 0.00000000 8.29377185 1 Sr Sr3 1 2.03607669 2.03607669 2.77844056 1 [/CIF]
CdInSr2
P4mm
99
tetragonal
4mm
4,570.005053
false
[CIF] data_TaTi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86487664 _cell_length_b 4.41843847 _cell_length_c 5.24744555 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.96157238 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTi2Ir _chemical_formula_sum 'Ta1 Ti2 Ir1' _cell_volume 64.73121434 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.85148477 2.20921923 2.54564968 1 Ta Ta1 1 -0.13404294 0.00000000 3.80861118 1 Ti Ti2 1 -0.00071198 2.20921923 0.04909000 1 Ti Ti3 1 1.81510170 0.00000000 1.26726569 1 [/CIF]
IrTaTi2
Pm
6
monoclinic
m
12,028.584918
false
[CIF] data_ZnP2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91625019 _cell_length_b 2.91625019 _cell_length_c 8.65513252 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.41496321 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnP2Au _chemical_formula_sum 'Zn1 P2 Au1' _cell_volume 66.48419061 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55798325 0.00000000 2.24421735 1 P P1 1 0.00000000 0.00000000 8.31880697 1 P P2 1 1.55798325 0.00000000 6.64325415 1 Zn Zn3 1 0.00000000 0.00000000 4.43155283 1 [/CIF]
AuP2Zn
Cmm2
35
orthorhombic
mm2
8,099.715219
false
[CIF] data_ZnSnAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75414974 _cell_length_b 4.75414974 _cell_length_c 4.75414974 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnSnAs _chemical_formula_sum 'Zn1 Sn1 As1' _cell_volume 75.98074920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68084576 1.68084576 1.68084576 1 Sn Sn1 1 3.36169152 3.36169152 3.36169152 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsSnZn
F-43m
216
cubic
-43m
5,660.629634
false
[CIF] data_TaPd2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87029445 _cell_length_b 2.92753853 _cell_length_c 7.35292735 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.10400847 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaPd2Cl _chemical_formula_sum 'Ta1 Pd2 Cl1' _cell_volume 82.01978213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.08640291 0.00000000 2.07495098 1 Pd Pd1 1 2.09867420 1.46376927 6.67886961 1 Pd Pd2 1 0.16330180 0.00000000 5.26934289 1 Ta Ta3 1 2.10244411 1.46376927 4.07406184 1 [/CIF]
ClPd2Ta
Pm
6
monoclinic
m
8,690.235839
false
[CIF] data_Ta _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97930507 _cell_length_b 3.97930507 _cell_length_c 3.97930507 _cell_angle_alpha 97.23718000 _cell_angle_beta 97.23718000 _cell_angle_gamma 138.42139807 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta _chemical_formula_sum Ta2 _cell_volume 39.09490813 _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 Ta Ta0 1 0.00000000 0.00000000 -0.00000000 1 Ta Ta1 1 -0.00000000 2.63059304 0.70619213 1 [/CIF]
Ta2
I4_1/amd
141
tetragonal
4/mmm
15,371.363594
false
[CIF] data_TiVZnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51107228 _cell_length_b 4.51107228 _cell_length_c 4.51107228 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiVZnAu _chemical_formula_sum 'Ti1 V1 Zn1 Au1' _cell_volume 64.91190573 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59490490 1.59490490 1.59490490 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 3.18980980 3.18980980 3.18980980 1 Zn Zn3 1 4.78471470 4.78471470 4.78471470 1 [/CIF]
AuTiVZn
F-43m
216
cubic
-43m
9,238.861415
false
[CIF] data_CaNbTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80272714 _cell_length_b 4.80272714 _cell_length_c 4.80272714 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNbTe _chemical_formula_sum 'Ca1 Nb1 Te1' _cell_volume 78.33371854 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 3.39604093 3.39604093 3.39604093 1 Te Te2 1 5.09406140 5.09406140 5.09406140 1 [/CIF]
CaNbTe
F-43m
216
cubic
-43m
5,523.937217
false
[CIF] data_Ta2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78036112 _cell_length_b 4.78036112 _cell_length_c 4.78036112 _cell_angle_alpha 105.23598519 _cell_angle_beta 105.23598519 _cell_angle_gamma 118.32091413 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2B _chemical_formula_sum 'Ta4 B2' _cell_volume 82.56747138 _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 B B0 1 -0.00000000 0.00000000 3.67587463 1 B B1 1 -0.00000000 0.00000000 1.22529154 1 Ta Ta2 1 0.97126281 1.93102034 0.00000000 1 Ta Ta3 1 1.93102034 0.97126281 2.45058309 1 Ta Ta4 1 3.87354596 0.97126281 0.00000000 1 Ta Ta5 1 -0.97126281 1.93102034 2.45058309 1 [/CIF]
B2Ta4
I4/mcm
140
tetragonal
4/mmm
14,991.233837
false
[CIF] data_NaBeW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72835137 _cell_length_b 3.72835137 _cell_length_c 4.49306361 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBeW2 _chemical_formula_sum 'Na1 Be1 W2' _cell_volume 62.45629771 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 1.86417568 1.86417568 0.00000000 1 W W2 1 1.86417568 0.00000000 2.24653181 1 W W3 1 0.00000000 1.86417568 2.24653181 1 [/CIF]
BeNaW2
P4/mmm
123
tetragonal
4/mmm
10,626.430298
false
[CIF] data_Hg2PdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08197138 _cell_length_b 3.08197138 _cell_length_c 8.44935827 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg2PdAu _chemical_formula_sum 'Hg2 Pd1 Au1' _cell_volume 80.25663154 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54098569 1.54098569 6.13798300 1 Hg Hg1 1 0.00000000 0.00000000 8.27787525 1 Hg Hg2 1 1.54098569 1.54098569 2.41112485 1 Pd Pd3 1 0.00000000 0.00000000 4.29641250 1 [/CIF]
AuHg2Pd
P4mm
99
tetragonal
4mm
14,578.002184
false
[CIF] data_NiHg4Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95854450 _cell_length_b 5.95854450 _cell_length_c 5.95854450 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiHg4Cl _chemical_formula_sum 'Ni1 Hg4 Cl1' _cell_volume 149.59103359 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 5.26492906 5.26492906 3.16172538 1 Hg Hg2 1 5.26492906 3.16172538 5.26492906 1 Hg Hg3 1 3.16172538 5.26492906 5.26492906 1 Hg Hg4 1 3.16172538 3.16172538 3.16172538 1 Ni Ni5 1 6.31999083 6.31999083 6.31999083 1 [/CIF]
ClHg4Ni
F-43m
216
cubic
-43m
9,951.692056
false
[CIF] data_LiFe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36458289 _cell_length_b 4.36458289 _cell_length_c 4.36458289 _cell_angle_alpha 130.28574751 _cell_angle_beta 130.28574751 _cell_angle_gamma 72.95036194 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFe2Pt _chemical_formula_sum 'Li1 Fe2 Pt1' _cell_volume 47.25443674 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 -0.00000000 3.50962416 1 Fe Fe1 1 0.00000000 1.83468282 1.75481208 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 1.83468282 -0.00000000 1.75481208 1 [/CIF]
Fe2LiPt
I-4m2
119
tetragonal
-42m
11,024.065658
false
[CIF] data_NaScCuSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78458946 _cell_length_b 4.78458946 _cell_length_c 4.78458946 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaScCuSn _chemical_formula_sum 'Na1 Sc1 Cu1 Sn1' _cell_volume 77.44957500 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.38321565 3.38321565 3.38321565 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 1.69160783 1.69160783 1.69160783 1 Sn Sn3 1 5.07482348 5.07482348 5.07482348 1 [/CIF]
CuNaScSn
F-43m
216
cubic
-43m
5,364.389234
false
[CIF] data_AlTlSnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83363218 _cell_length_b 4.83363218 _cell_length_c 4.83363218 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTlSnRu _chemical_formula_sum 'Al1 Tl1 Sn1 Ru1' _cell_volume 79.85567759 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 5.12684114 5.12684114 5.12684113 1 Sn Sn2 1 3.41789409 3.41789409 3.41789409 1 Tl Tl3 1 1.70894704 1.70894704 1.70894704 1 [/CIF]
AlRuSnTl
F-43m
216
cubic
-43m
9,381.219367
false
[CIF] data_YTi4Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61719526 _cell_length_b 5.61719526 _cell_length_c 5.61719526 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTi4Tl _chemical_formula_sum 'Y1 Ti4 Tl1' _cell_volume 125.32668848 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 4.98002526 4.98002526 2.96388846 1 Ti Ti1 1 4.98002526 2.96388846 4.98002526 1 Ti Ti2 1 2.96388846 4.98002526 4.98002526 1 Ti Ti3 1 2.96388846 2.96388846 2.96388846 1 Tl Tl4 1 5.95793529 5.95793529 5.95793529 1 Y Y5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ti4TlY
F-43m
216
cubic
-43m
6,422.879238
false
[CIF] data_LaCo2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69902778 _cell_length_b 4.69902778 _cell_length_c 4.69902778 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCo2Sn _chemical_formula_sum 'La1 Co2 Sn1' _cell_volume 73.36839869 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 4.98407162 4.98407162 4.98407162 1 Co Co1 1 1.66135721 1.66135721 1.66135721 1 La La2 1 3.32271441 3.32271441 3.32271441 1 Sn Sn3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
Co2LaSn
Fm-3m
225
cubic
m-3m
8,498.240502
false
[CIF] data_SrMn2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70983599 _cell_length_b 4.70983599 _cell_length_c 4.70983599 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMn2Si _chemical_formula_sum 'Sr1 Mn2 Si1' _cell_volume 73.87582675 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 4.99553545 4.99553545 4.99553545 1 Mn Mn1 1 1.66517848 1.66517848 1.66517848 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 3.33035697 3.33035697 3.33035697 1 [/CIF]
Mn2SiSr
Fm-3m
225
cubic
m-3m
5,070.603218
false
[CIF] data_InBiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28146001 _cell_length_b 6.28146001 _cell_length_c 6.28146001 _cell_angle_alpha 33.77968099 _cell_angle_beta 33.77968099 _cell_angle_gamma 33.77968099 _symmetry_Int_Tables_number 1 _chemical_formula_structural InBiB2 _chemical_formula_sum 'In1 Bi1 B2' _cell_volume 68.27080002 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.49363800 1 B B1 1 -0.00000000 -0.00000000 13.25867283 1 Bi Bi2 1 0.00000000 0.00000000 8.87615542 1 In In3 1 0.00000000 -0.00000000 -0.00000000 1 [/CIF]
B2BiIn
R-3m
166
trigonal
-3m
8,401.601692
false
[CIF] data_TlSi2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.33332529 _cell_length_b 10.33332529 _cell_length_c 10.33332529 _cell_angle_alpha 18.65942538 _cell_angle_beta 18.65942538 _cell_angle_gamma 18.65942538 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSi2Bi _chemical_formula_sum 'Tl1 Si2 Bi1' _cell_volume 98.67669258 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 15.22599134 1 Si Si1 1 0.00000000 0.00000000 7.59799472 1 Si Si2 1 0.00000000 0.00000000 22.85398796 1 Tl Tl3 1 -0.00000000 0.00000000 -0.00000000 1 [/CIF]
BiSi2Tl
R-3m
166
trigonal
-3m
7,901.366494
false
[CIF] data_LiMg4Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87830558 _cell_length_b 5.87830558 _cell_length_c 5.87830558 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMg4Sb _chemical_formula_sum 'Li1 Mg4 Sb1' _cell_volume 143.62878263 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 5.19455532 5.19455532 3.11862416 1 Mg Mg2 1 5.19455532 3.11862416 5.19455532 1 Mg Mg3 1 3.11862416 5.19455532 5.19455532 1 Mg Mg4 1 3.11862416 3.11862416 3.11862416 1 Sb Sb5 1 6.23488461 6.23488461 6.23488461 1 [/CIF]
LiMg4Sb
F-43m
216
cubic
-43m
2,611.946155
false
[CIF] data_ReSi2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28053375 _cell_length_b 3.28053375 _cell_length_c 5.43336582 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSi2Ge _chemical_formula_sum 'Re1 Si2 Ge1' _cell_volume 58.47334859 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.59622872 1 Re Re1 1 1.64026687 1.64026687 4.29542988 1 Si Si2 1 0.00000000 0.00000000 5.33377896 1 Si Si3 1 1.64026687 1.64026687 1.35797698 1 [/CIF]
GeReSi2
P4mm
99
tetragonal
4mm
8,946.005322
false
[CIF] data_GaTc2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06391605 _cell_length_b 3.06391605 _cell_length_c 6.23557131 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaTc2Se _chemical_formula_sum 'Ga1 Tc2 Se1' _cell_volume 58.53693425 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 0.00000000 0.00000000 3.11778566 1 Tc Tc2 1 1.53195803 1.53195803 4.65676618 1 Tc Tc3 1 1.53195803 1.53195803 1.57880513 1 [/CIF]
GaSeTc2
P4/mmm
123
tetragonal
4/mmm
9,829.169828
false
[CIF] data_Mg2WCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93413138 _cell_length_b 2.93413138 _cell_length_c 8.61280064 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2WCl _chemical_formula_sum 'Mg2 W1 Cl1' _cell_volume 74.14869415 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.41023260 1 Mg Mg1 1 1.46706569 1.46706569 8.46633109 1 Mg Mg2 1 0.00000000 0.00000000 2.30887334 1 W W3 1 1.46706569 1.46706569 4.34656457 1 [/CIF]
ClMg2W
P4mm
99
tetragonal
4mm
5,999.612032
false
[CIF] data_AlCuNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.17674050 _cell_length_b 8.17674050 _cell_length_c 8.17674050 _cell_angle_alpha 18.45070339 _cell_angle_beta 18.45070339 _cell_angle_gamma 18.45070339 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCuNi2 _chemical_formula_sum 'Al1 Cu1 Ni2' _cell_volume 47.83256072 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.12071509 1 Cu Cu1 1 0.00000000 0.00000000 18.05693235 1 Ni Ni2 1 -0.00000000 -0.00000000 24.07348535 1 Ni Ni3 1 -0.00000000 -0.00000000 6.01447432 1 [/CIF]
AlCuNi2
R3m
160
trigonal
3m
7,217.884145
false
[CIF] data_RePF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31982495 _cell_length_b 4.31982495 _cell_length_c 4.31982495 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RePF3 _chemical_formula_sum 'Re1 P1 F3' _cell_volume 80.61176784 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 2.15991248 2.15991248 2.15991248 1 F F1 1 0.00000000 2.15991248 0.00000000 1 F F2 1 0.00000000 0.00000000 2.15991248 1 F F3 1 2.15991248 0.00000000 0.00000000 1 P P4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
F3PRe
Pm-3m
221
cubic
m-3m
5,647.809547
false
[CIF] data_YHfTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34822297 _cell_length_b 3.34822297 _cell_length_c 9.51461383 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHfTl2 _chemical_formula_sum 'Y1 Hf1 Tl2' _cell_volume 106.66450180 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67411149 1.67411149 7.15394261 1 Tl Tl1 1 0.00000000 0.00000000 9.40309152 1 Tl Tl2 1 1.67411149 1.67411149 2.30591785 1 Y Y3 1 0.00000000 0.00000000 4.92358259 1 [/CIF]
HfTl2Y
P4mm
99
tetragonal
4mm
10,526.408924
false
[CIF] data_Ca2TiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79950611 _cell_length_b 5.79950611 _cell_length_c 5.79950611 _cell_angle_alpha 131.37385691 _cell_angle_beta 131.37385691 _cell_angle_gamma 71.21976795 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2TiHg _chemical_formula_sum 'Ca2 Ti1 Hg1' _cell_volume 107.53070041 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.38778586 -0.00000000 2.35750019 1 Ca Ca1 1 -0.00000000 2.38778586 2.35750019 1 Hg Hg2 1 0.00000000 -0.00000000 4.71500037 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca2HgTi
I4/mmm
139
tetragonal
4/mmm
5,074.594718
false
[CIF] data_ReMo2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81487054 _cell_length_b 4.81487054 _cell_length_c 4.81487054 _cell_angle_alpha 131.25915430 _cell_angle_beta 131.25915430 _cell_angle_gamma 71.40165938 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReMo2Pt _chemical_formula_sum 'Re1 Mo2 Pt1' _cell_volume 61.73629876 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98678055 1.95501818 1 Mo Mo1 1 1.98678056 -0.00000000 1.95501818 1 Pt Pt2 1 0.00000000 0.00000000 3.91003636 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2PtRe
I4/mmm
139
tetragonal
4/mmm
15,417.82709
false
[CIF] data_Al2CoGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32741557 _cell_length_b 4.32741557 _cell_length_c 4.32741557 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CoGe _chemical_formula_sum 'Al2 Co1 Ge1' _cell_volume 57.30213611 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.52997245 1.52997245 1.52997245 1 Al Al1 1 4.58991734 4.58991734 4.58991734 1 Co Co2 1 -0.00000000 -0.00000000 0.00000000 1 Ge Ge3 1 3.05994489 3.05994489 3.05994489 1 [/CIF]
Al2CoGe
Fm-3m
225
cubic
m-3m
5,376.592378
false
[CIF] data_TlCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06022854 _cell_length_b 5.06022854 _cell_length_c 5.06022854 _cell_angle_alpha 143.99477477 _cell_angle_beta 130.61599762 _cell_angle_gamma 62.61614626 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCr2 _chemical_formula_sum 'Tl1 Cr2' _cell_volume 57.17075579 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.76243676 1 Cr Cr1 1 -0.00000000 0.00000000 2.88433624 1 Tl Tl2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2Tl
Immm
71
orthorhombic
mmm
8,956.844419
false
[CIF] data_Cd2FeCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93577415 _cell_length_b 2.93577415 _cell_length_c 7.72891750 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2FeCu _chemical_formula_sum 'Cd2 Fe1 Cu1' _cell_volume 66.61376120 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46788707 1.46788707 7.49470093 1 Cd Cd1 1 0.00000000 0.00000000 2.20282310 1 Cu Cu2 1 1.46788707 1.46788707 4.07912163 1 Fe Fe3 1 0.00000000 0.00000000 5.54564809 1 [/CIF]
Cd2CuFe
P4mm
99
tetragonal
4mm
8,580.496334
false
[CIF] data_K2EuTh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49323354 _cell_length_b 6.49323354 _cell_length_c 6.49323354 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2EuTh _chemical_formula_sum 'K2 Eu1 Th1' _cell_volume 193.58338197 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Eu Eu0 1 -0.00000000 0.00000000 -0.00000000 1 K K1 1 6.88711421 6.88711421 6.88711421 1 K K2 1 2.29570474 2.29570474 2.29570474 1 Th Th3 1 4.59140947 4.59140947 4.59140947 1 [/CIF]
EuK2Th
Fm-3m
225
cubic
m-3m
3,964.694302
false
[CIF] data_SnHgPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27871552 _cell_length_b 3.27871552 _cell_length_c 6.95723574 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnHgPt2 _chemical_formula_sum 'Sn1 Hg1 Pt2' _cell_volume 74.79011348 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.47861787 1 Pt Pt1 1 1.63935776 1.63935776 5.38166938 1 Pt Pt2 1 1.63935776 1.63935776 1.57556636 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgPt2Sn
P4/mmm
123
tetragonal
4/mmm
15,752.073044
false
[CIF] data_TcIrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17447518 _cell_length_b 4.17447518 _cell_length_c 4.17447518 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcIrRh _chemical_formula_sum 'Tc1 Ir1 Rh1' _cell_volume 51.43877920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 2.95179971 2.95179971 2.95179971 1 Rh Rh1 1 1.47589986 1.47589986 1.47589986 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrRhTc
F-43m
216
cubic
-43m
12,719.976249
false
[CIF] data_MoRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.91174743 _cell_length_b 11.91174743 _cell_length_c 11.91174743 _cell_angle_alpha 161.21121096 _cell_angle_beta 161.21121096 _cell_angle_gamma 26.69321403 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoRh2 _chemical_formula_sum 'Mo4 Rh8' _cell_volume 175.26387795 _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 Mo Mo0 1 0.00000000 -0.00000000 1.94162223 1 Mo Mo1 1 0.00000000 0.00000000 21.23843381 1 Mo Mo2 1 0.00000000 1.94434788 7.73663624 1 Mo Mo3 1 -0.00000000 1.94434788 3.85339178 1 Rh Rh4 1 -0.00000000 0.00000000 5.82902008 1 Rh Rh5 1 0.00000000 0.00000000 17.35103596 1 Rh Rh6 1 1.94434788 -0.00000000 0.03400607 1 Rh Rh7 1 1.94434788 -0.00000000 11.55602195 1 Rh Rh8 1 0.00000000 -0.00000000 9.65722627 1 Rh Rh9 1 -0.00000000 0.00000000 13.52282977 1 Rh Rh10 1 1.94434788 0.00000000 3.86221226 1 Rh Rh11 1 1.94434788 0.00000000 7.72781576 1 [/CIF]
Mo4Rh8
I4_1/amd
141
tetragonal
4/mmm
11,436.527379
false
[CIF] data_InNi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06543488 _cell_length_b 4.06543488 _cell_length_c 3.61435978 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InNi2Au _chemical_formula_sum 'In1 Ni2 Au1' _cell_volume 59.73727366 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.03271744 2.03271744 0.00000000 1 In In1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 0.00000000 2.03271744 1.80717989 1 Ni Ni3 1 2.03271744 0.00000000 1.80717989 1 [/CIF]
AuInNi2
P4/mmm
123
tetragonal
4/mmm
11,929.835577
false
[CIF] data_LaMo2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54052909 _cell_length_b 5.54052909 _cell_length_c 5.54052909 _cell_angle_alpha 144.00643973 _cell_angle_beta 125.69002338 _cell_angle_gamma 66.89092184 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMo2Pd _chemical_formula_sum 'La1 Mo2 Pd1' _cell_volume 80.04710348 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 2.52869226 2.41156159 1 Mo Mo1 1 -0.00000000 -0.00000000 0.29636414 1 Mo Mo2 1 1.71182152 0.00000000 2.04658951 1 Pd Pd3 1 -0.00000000 0.00000000 4.49163966 1 [/CIF]
LaMo2Pd
Imm2
44
orthorhombic
mm2
9,070.449186
false
[CIF] data_HfMgSc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20942347 _cell_length_b 4.51265458 _cell_length_c 6.43669310 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.87651113 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMgSc2 _chemical_formula_sum 'Hf1 Mg1 Sc2' _cell_volume 93.17275863 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 -0.10538618 0.00000000 3.21662063 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 1.49676160 2.25632729 1.69006317 1 Sc Sc3 1 1.50188950 2.25632729 4.74317808 1 [/CIF]
HfMgSc2
P2/m
10
monoclinic
2/m
5,216.665509
false
[CIF] data_HfB2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59823588 _cell_length_b 4.59823588 _cell_length_c 4.59823588 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfB2Pb _chemical_formula_sum 'Hf1 B2 Pb1' _cell_volume 68.74778958 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 B B1 1 1.62572189 1.62572189 1.62572189 1 Hf Hf2 1 3.25144377 3.25144377 3.25144377 1 Pb Pb3 1 4.87716566 4.87716566 4.87716566 1 [/CIF]
B2HfPb
F-43m
216
cubic
-43m
9,838.243418
false
[CIF] data_V2MoP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20062263 _cell_length_b 4.20062263 _cell_length_c 4.20062263 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2MoP _chemical_formula_sum 'V2 Mo1 P1' _cell_volume 52.41142970 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.97028875 2.97028875 2.97028875 1 P P1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.48514438 1.48514438 1.48514437 1 V V3 1 4.45543312 4.45543313 4.45543313 1 [/CIF]
MoPV2
Fm-3m
225
cubic
m-3m
7,249.547944
false
[CIF] data_TlGa2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13588646 _cell_length_b 5.13588646 _cell_length_c 3.30819850 _cell_angle_alpha 102.38287964 _cell_angle_beta 102.38287964 _cell_angle_gamma 113.60708192 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlGa2Os _chemical_formula_sum 'Tl1 Ga2 Os1' _cell_volume 73.57058821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.75811848 -2.14885015 1.52194670 1 Ga Ga1 1 0.75811848 2.14885015 1.52194670 1 Os Os2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 2.81195695 -0.00000000 0.00000000 1 [/CIF]
Ga2OsTl
C2/m
12
monoclinic
2/m
12,054.087823
false
[CIF] data_VRe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41765457 _cell_length_b 4.41765457 _cell_length_c 4.41765457 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VRe2Br _chemical_formula_sum 'V1 Re2 Br1' _cell_volume 60.96214827 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 3.12375350 3.12375350 3.12375350 1 Re Re1 1 4.68563025 4.68563025 4.68563025 1 Re Re2 1 1.56187675 1.56187675 1.56187675 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrRe2V
Fm-3m
225
cubic
m-3m
13,708.21213
false
[CIF] data_SrTlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16247692 _cell_length_b 6.16247692 _cell_length_c 6.16247692 _cell_angle_alpha 144.85338971 _cell_angle_beta 144.85338971 _cell_angle_gamma 50.55306085 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTlPt _chemical_formula_sum 'Sr1 Tl1 Pt1' _cell_volume 77.16464467 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.19419944 1 Sr Sr1 1 0.00000000 -0.00000000 3.85660207 1 Tl Tl2 1 0.00000000 0.00000000 7.09413079 1 [/CIF]
PtSrTl
I4mm
107
tetragonal
4mm
10,481.840407
false
[CIF] data_InTc4Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26145257 _cell_length_b 5.26145257 _cell_length_c 5.26145257 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InTc4Hg _chemical_formula_sum 'In1 Tc4 Hg1' _cell_volume 102.99164173 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.58061319 5.58061319 5.58061319 1 In In1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 4.64922730 4.64922730 2.79159028 1 Tc Tc3 1 4.64922730 2.79159028 4.64922730 1 Tc Tc4 1 2.79159028 4.64922730 4.64922730 1 Tc Tc5 1 2.79159028 2.79159028 2.79159028 1 [/CIF]
HgInTc4
F-43m
216
cubic
-43m
11,464.015159
false