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_Mg2ScAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79973167 _cell_length_b 4.79973167 _cell_length_c 4.79973167 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2ScAu _chemical_formula_sum 'Mg2 Sc1 Au1' _cell_volume 78.18723907 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69696141 1.69696141 1.69696141 1 Mg Mg1 1 5.09088422 5.09088422 5.09088422 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 3.39392281 3.39392281 3.39392281 1 [/CIF]
AuMg2Sc
F-43m
216
cubic
-43m
6,170.323195
false
[CIF] data_Hf2CuBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31040277 _cell_length_b 5.31040277 _cell_length_c 5.31040277 _cell_angle_alpha 131.92354822 _cell_angle_beta 131.92354822 _cell_angle_gamma 70.34980098 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2CuBi _chemical_formula_sum 'Hf2 Cu1 Bi1' _cell_volume 81.24611292 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 -0.00000000 4.34070908 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 2.16317154 -0.00000000 2.17035454 1 Hf Hf3 1 -0.00000000 2.16317154 2.17035454 1 [/CIF]
BiCuHf2
I4/mmm
139
tetragonal
4/mmm
12,866.092079
false
[CIF] data_K2TiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39637263 _cell_length_b 3.39637263 _cell_length_c 10.65873581 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2TiRu _chemical_formula_sum 'K2 Ti1 Ru1' _cell_volume 122.95221660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 1.69818632 1.69818632 9.93510965 1 K K1 1 0.00000000 0.00000000 3.52558141 1 Ru Ru2 1 1.69818632 1.69818632 6.20637359 1 Ti Ti3 1 0.00000000 0.00000000 6.97977487 1 [/CIF]
K2RuTi
P4mm
99
tetragonal
4mm
3,067.567439
false
[CIF] data_ScAlTlNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65463459 _cell_length_b 4.65463459 _cell_length_c 4.65463459 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAlTlNi _chemical_formula_sum 'Sc1 Al1 Tl1 Ni1' _cell_volume 71.30857846 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 4.93698552 4.93698552 4.93698552 1 Sc Sc2 1 3.29132368 3.29132368 3.29132368 1 Tl Tl3 1 1.64566184 1.64566184 1.64566184 1 [/CIF]
AlNiScTl
F-43m
216
cubic
-43m
7,801.362711
false
[CIF] data_SbSeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.48826359 _cell_length_b 7.48826359 _cell_length_c 7.48826359 _cell_angle_alpha 153.53388839 _cell_angle_beta 139.56261997 _cell_angle_gamma 48.98068409 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbSeCl2 _chemical_formula_sum 'Sb1 Se1 Cl2' _cell_volume 120.92283903 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.58797624 2.11748284 1 Cl Cl1 1 1.71415730 0.00000000 4.69707036 1 Sb Sb2 1 0.00000000 0.00000000 6.81455320 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2SbSe
Immm
71
orthorhombic
mmm
3,730.028075
false
[CIF] data_Na2InGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17984920 _cell_length_b 4.94174246 _cell_length_c 6.26736924 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2InGa _chemical_formula_sum 'Na2 In1 Ga1' _cell_volume 98.48541396 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 0.00000000 0.00000000 3.13368462 1 Na Na2 1 1.58992460 2.47087123 4.75492538 1 Na Na3 1 1.58992460 2.47087123 1.51244386 1 [/CIF]
GaInNa2
Pmmm
47
orthorhombic
mmm
3,886.751799
false
[CIF] data_Ca2MnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42749595 _cell_length_b 5.42749595 _cell_length_c 5.42749595 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2MnPb _chemical_formula_sum 'Ca2 Mn1 Pb1' _cell_volume 113.05337344 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 1.91890959 1.91890960 1.91890960 1 Ca Ca1 1 5.75672879 5.75672879 5.75672879 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 3.83781919 3.83781919 3.83781919 1 [/CIF]
Ca2MnPb
Fm-3m
225
cubic
m-3m
5,027.648593
false
[CIF] data_K2GaPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61116230 _cell_length_b 5.61116230 _cell_length_c 5.61116230 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2GaPd _chemical_formula_sum 'K2 Ga1 Pd1' _cell_volume 124.92331296 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 1.98384545 1.98384546 1.98384546 1 K K2 1 5.95153637 5.95153637 5.95153637 1 Pd Pd3 1 3.96769091 3.96769091 3.96769091 1 [/CIF]
GaK2Pd
Fm-3m
225
cubic
m-3m
3,380.800845
false
[CIF] data_Li5(NiP)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.77332771 _cell_length_b 7.77332771 _cell_length_c 4.03475213 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5(NiP)3 _chemical_formula_sum 'Li5 Ni3 P3' _cell_volume 211.13558971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.11111174 0.00000000 0.00000000 1 Li Li1 1 -1.05555587 1.82827640 0.00000000 1 Li Li2 1 2.83110798 4.90362287 0.00000000 1 Li Li3 1 -0.00000000 4.48793285 0.00000000 1 Li Li4 1 3.88666385 2.24396642 0.00000000 1 Ni Ni5 1 4.96222124 0.00000000 0.00000000 1 Ni Ni6 1 -2.48111062 4.29740965 0.00000000 1 Ni Ni7 1 1.40555324 2.43448962 0.00000000 1 P P8 1 5.00088355 0.00000000 2.01737607 1 P P9 1 -2.50044178 4.33089220 2.01737607 1 P P10 1 1.38622208 2.40100707 2.01737607 1 [/CIF]
Li5Ni3P3
P-62m
189
hexagonal
-6m2
2,388.596341
false
[CIF] data_Hf2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51199584 _cell_length_b 5.51199584 _cell_length_c 7.77041420 _cell_angle_alpha 121.98950375 _cell_angle_beta 121.98950375 _cell_angle_gamma 33.92646760 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Ni _chemical_formula_sum 'Hf4 Ni2' _cell_volume 109.70772759 _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 Hf Hf0 1 -0.75473067 0.00000000 3.66102894 1 Hf Hf1 1 3.81129101 0.00000000 0.94076400 1 Hf Hf2 1 2.42933983 0.00000000 5.52895294 1 Hf Hf3 1 6.99536151 0.00000000 2.80868799 1 Ni Ni4 1 5.49565980 -0.00000000 5.43976925 1 Ni Ni5 1 0.74497104 -0.00000000 1.02994769 1 [/CIF]
Hf4Ni2
C2/m
12
monoclinic
2/m
12,583.287154
false
[CIF] data_YBeReOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47865759 _cell_length_b 4.47865759 _cell_length_c 4.47865759 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBeReOs _chemical_formula_sum 'Y1 Be1 Re1 Os1' _cell_volume 63.52264628 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 4.75033373 4.75033373 4.75033373 1 Re Re2 1 1.58344458 1.58344458 1.58344458 1 Y Y3 1 3.16688915 3.16688915 3.16688915 1 [/CIF]
BeOsReY
F-43m
216
cubic
-43m
12,400.066877
false
[CIF] data_Re2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18671165 _cell_length_b 5.18671165 _cell_length_c 5.18671165 _cell_angle_alpha 109.54157801 _cell_angle_beta 109.54157801 _cell_angle_gamma 109.33059733 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2Sb _chemical_formula_sum 'Re4 Sb2' _cell_volume 107.41191516 _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 Re Re0 1 0.86548636 2.12646226 0.00000000 1 Re Re1 1 2.12646226 0.86548636 2.99974409 1 Re Re2 1 3.85743498 0.86548636 0.00000000 1 Re Re3 1 -0.86548636 2.12646226 2.99974409 1 Sb Sb4 1 0.00000000 -0.00000000 4.49961614 1 Sb Sb5 1 0.00000000 0.00000000 1.49987205 1 [/CIF]
Re4Sb2
I4/mcm
140
tetragonal
4/mmm
15,279.407903
false
[CIF] data_CaCuSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78463138 _cell_length_b 5.75858151 _cell_length_c 3.29415256 _cell_angle_alpha 73.85343606 _cell_angle_beta 72.98492830 _cell_angle_gamma 33.16163565 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCuSi _chemical_formula_sum 'Ca1 Cu1 Si1' _cell_volume 57.28130029 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.29681757 2.36137040 10.56014319 1 Cu Cu1 1 2.29681757 2.36137040 7.44830076 1 Si Si2 1 2.29681757 2.36137040 3.11439301 1 [/CIF]
CaCuSi
Fmm2
42
orthorhombic
mm2
3,818.153028
false
[CIF] data_CuBiAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46292962 _cell_length_b 3.46292962 _cell_length_c 6.62073945 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuBiAu2 _chemical_formula_sum 'Cu1 Bi1 Au2' _cell_volume 79.39512328 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73146481 1.73146481 6.43951088 1 Au Au1 1 0.00000000 0.00000000 1.41235779 1 Bi Bi2 1 1.73146481 1.73146481 3.41243769 1 Cu Cu3 1 0.00000000 0.00000000 5.28754227 1 [/CIF]
Au2BiCu
P4mm
99
tetragonal
4mm
13,938.917826
false
[CIF] data_CSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98196250 _cell_length_b 5.98196250 _cell_length_c 3.23501918 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 148.73082503 _symmetry_Int_Tables_number 1 _chemical_formula_structural CSe _chemical_formula_sum 'C2 Se2' _cell_volume 60.08709973 _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 C C0 1 1.61214607 -3.70160723 2.42626439 1 C C1 1 1.61214607 3.70160723 0.80875480 1 Se Se2 1 1.61214607 -1.73506564 2.42626439 1 Se Se3 1 1.61214607 1.73506564 0.80875480 1 [/CIF]
C2Se2
Cmcm
63
orthorhombic
mmm
5,028.047682
false
[CIF] data_AgPbW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00260171 _cell_length_b 5.00260171 _cell_length_c 5.00260171 _cell_angle_alpha 129.43294904 _cell_angle_beta 129.43294904 _cell_angle_gamma 74.31493082 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgPbW2 _chemical_formula_sum 'Ag1 Pb1 W2' _cell_volume 72.80299592 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 2.13660064 -0.00000000 1.99348309 1 W W2 1 0.00000000 -0.00000000 3.98696618 1 W W3 1 0.00000000 2.13660064 1.99348309 1 [/CIF]
AgPbW2
I-4m2
119
tetragonal
-42m
15,572.574239
false
[CIF] data_Zr2BeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62043008 _cell_length_b 6.62043008 _cell_length_c 6.62043008 _cell_angle_alpha 32.66523444 _cell_angle_beta 32.66523444 _cell_angle_gamma 32.66523444 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2BeAs _chemical_formula_sum 'Zr2 Be1 As1' _cell_volume 75.18387159 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.39251604 1 Be Be1 1 -0.00000000 0.00000000 -0.00000000 1 Zr Zr2 1 -0.00000000 -0.00000000 4.74727385 1 Zr Zr3 1 0.00000000 0.00000000 14.03775824 1 [/CIF]
AsBeZr2
R-3m
166
trigonal
-3m
5,911.952572
false
[CIF] data_As2PdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45097884 _cell_length_b 4.45097884 _cell_length_c 4.45097884 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural As2PdRu _chemical_formula_sum 'As2 Pd1 Ru1' _cell_volume 62.35217277 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 4.72097598 4.72097598 4.72097598 1 As As1 1 1.57365866 1.57365866 1.57365866 1 Pd Pd2 1 3.14731732 3.14731732 3.14731732 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2PdRu
Fm-3m
225
cubic
m-3m
9,516.656351
false
[CIF] data_NbBi2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00426693 _cell_length_b 5.00426693 _cell_length_c 5.00426693 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbBi2Rh _chemical_formula_sum 'Nb1 Bi2 Rh1' _cell_volume 88.61482887 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.53855108 3.53855108 3.53855108 1 Bi Bi1 1 5.30782662 5.30782662 5.30782662 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 1.76927554 1.76927554 1.76927554 1 [/CIF]
Bi2NbRh
F-43m
216
cubic
-43m
11,501.387817
false
[CIF] data_HfP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15229639 _cell_length_b 5.15229639 _cell_length_c 5.15229639 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfP _chemical_formula_sum 'Hf4 P4' _cell_volume 136.77367450 _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 Hf Hf0 1 0.50517117 3.08131937 4.64712522 1 Hf Hf1 1 2.07097702 2.07097702 2.07097702 1 Hf Hf2 1 4.64712522 0.50517117 3.08131937 1 Hf Hf3 1 3.08131937 4.64712522 0.50517117 1 P P4 1 2.12827638 4.70442458 3.02402001 1 P P5 1 0.44787181 0.44787181 0.44787181 1 P P6 1 3.02402001 2.12827638 4.70442458 1 P P7 1 4.70442458 3.02402001 2.12827638 1 [/CIF]
Hf4P4
P2_13
198
cubic
23
10,172.213655
false
[CIF] data_NaZrIn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95737581 _cell_length_b 5.95737581 _cell_length_c 5.95737581 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrIn4 _chemical_formula_sum 'Na1 Zr1 In4' _cell_volume 149.50302978 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 3.16202821 3.16202821 5.26297345 1 In In1 1 3.16202821 5.26297345 3.16202821 1 In In2 1 5.26297345 3.16202821 3.16202821 1 In In3 1 5.26297345 5.26297345 5.26297345 1 Na Na4 1 0.00000000 0.00000000 0.00000000 1 Zr Zr5 1 2.10625041 2.10625041 2.10625041 1 [/CIF]
In4NaZr
F-43m
216
cubic
-43m
6,369.740636
false
[CIF] data_BeAlB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00945342 _cell_length_b 3.97741962 _cell_length_c 3.97741962 _cell_angle_alpha 47.53173076 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAlB2 _chemical_formula_sum 'Be1 Al1 B2' _cell_volume 35.11895633 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50472671 0.00000000 1.66617879 1 B B1 1 1.50472671 -0.00000000 6.84170576 1 B B2 1 0.00000000 0.00000000 5.94844233 1 Be Be3 1 0.00000000 -0.00000000 3.74434381 1 [/CIF]
AlB2Be
Amm2
38
orthorhombic
mm2
2,724.25963
false
[CIF] data_NiRuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28148560 _cell_length_b 4.28148560 _cell_length_c 3.13572050 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiRuPb _chemical_formula_sum 'Ni1 Ru1 Pb1' _cell_volume 49.78023622 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.03082993 1 Pb Pb1 1 2.14074280 1.23595843 0.88385099 1 Ru Ru2 1 0.00000000 2.47191687 2.22103961 1 [/CIF]
NiPbRu
P3m1
156
trigonal
3m
12,240.943563
false
[CIF] data_AcCe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88370802 _cell_length_b 3.88370802 _cell_length_c 5.37573540 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcCe _chemical_formula_sum 'Ac1 Ce1' _cell_volume 81.08322762 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ac Ac0 1 1.94185401 1.94185401 2.68786770 1 Ce Ce1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AcCe
P4/mmm
123
tetragonal
4/mmm
7,518.329966
false
[CIF] data_TlB2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00665188 _cell_length_b 3.00665188 _cell_length_c 6.85248623 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlB2W _chemical_formula_sum 'Tl1 B2 W1' _cell_volume 61.94617077 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.50332594 1.50332594 0.86986385 1 B B1 1 1.50332594 1.50332594 5.98262238 1 Tl Tl2 1 0.00000000 0.00000000 3.42624312 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2TlW
P4/mmm
123
tetragonal
4/mmm
10,986.379771
false
[CIF] data_ZrTlInNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85512784 _cell_length_b 4.85512784 _cell_length_c 4.85512784 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTlInNi _chemical_formula_sum 'Zr1 Tl1 In1 Ni1' _cell_volume 80.92580194 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 3.43309382 3.43309382 3.43309382 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.71654691 1.71654691 1.71654691 1 Zr Zr3 1 5.14964073 5.14964073 5.14964073 1 [/CIF]
InNiTlZr
F-43m
216
cubic
-43m
9,625.977247
false
[CIF] data_BaSiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32694290 _cell_length_b 5.32694290 _cell_length_c 5.32694290 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSiBi _chemical_formula_sum 'Ba1 Si1 Bi1' _cell_volume 106.88558233 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88335872 1.88335872 1.88335872 1 Bi Bi1 1 5.65007617 5.65007618 5.65007618 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaBiSi
F-43m
216
cubic
-43m
5,816.444306
false
[CIF] data_MnNi2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92072762 _cell_length_b 2.92072762 _cell_length_c 5.44533487 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNi2Ge _chemical_formula_sum 'Mn1 Ni2 Ge1' _cell_volume 46.45224498 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46036381 1.46036381 2.68247536 1 Mn Mn1 1 0.00000000 0.00000000 4.13942344 1 Ni Ni2 1 1.46036381 1.46036381 5.41061961 1 Ni Ni3 1 0.00000000 0.00000000 1.38081876 1 [/CIF]
GeMnNi2
P4mm
99
tetragonal
4mm
8,756.814557
false
[CIF] data_CaCoCuAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61748863 _cell_length_b 4.61748863 _cell_length_c 4.61748863 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCoCuAg _chemical_formula_sum 'Ca1 Co1 Cu1 Ag1' _cell_volume 69.61494837 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.26505752 3.26505752 3.26505752 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Co Co2 1 1.63252876 1.63252876 1.63252876 1 Cu Cu3 1 4.89758628 4.89758628 4.89758628 1 [/CIF]
AgCaCoCu
F-43m
216
cubic
-43m
6,450.510178
false
[CIF] data_NaW2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77948640 _cell_length_b 3.77948640 _cell_length_c 4.98274390 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaW2Se _chemical_formula_sum 'Na1 W2 Se1' _cell_volume 71.17609218 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Se Se1 1 1.88974320 1.88974320 0.00000000 1 W W2 1 1.88974320 0.00000000 2.49137195 1 W W3 1 0.00000000 1.88974320 2.49137195 1 [/CIF]
NaSeW2
P4/mmm
123
tetragonal
4/mmm
10,956.468034
false
[CIF] data_Mn2HgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92002576 _cell_length_b 4.92002576 _cell_length_c 4.92002576 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2HgTe _chemical_formula_sum 'Mn2 Hg1 Te1' _cell_volume 84.21455005 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.21847537 5.21847537 5.21847537 1 Mn Mn1 1 1.73949179 1.73949179 1.73949179 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 3.47898358 3.47898358 3.47898358 1 [/CIF]
HgMn2Te
F-43m
216
cubic
-43m
8,637.769314
false
[CIF] data_LaSn2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42944122 _cell_length_b 4.42944122 _cell_length_c 4.85688579 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSn2Rh _chemical_formula_sum 'La1 Sn2 Rh1' _cell_volume 95.29185403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.21472061 2.21472061 0.00000000 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 0.00000000 2.21472061 2.42844290 1 Sn Sn3 1 2.21472061 0.00000000 2.42844290 1 [/CIF]
LaRhSn2
P4/mmm
123
tetragonal
4/mmm
8,350.994544
false
[CIF] data_ZrCoAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02704924 _cell_length_b 3.02704924 _cell_length_c 7.52238761 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCoAu2 _chemical_formula_sum 'Zr1 Co1 Au2' _cell_volume 68.92784165 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51352462 1.51352462 5.83298821 1 Au Au1 1 1.51352462 1.51352462 1.68939940 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 3.76119381 1 [/CIF]
Au2CoZr
P4/mmm
123
tetragonal
4/mmm
13,107.765984
false
[CIF] data_Y2TcRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64595402 _cell_length_b 4.64595402 _cell_length_c 5.93467217 _cell_angle_alpha 102.49708884 _cell_angle_beta 102.49708884 _cell_angle_gamma 42.59844223 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2TcRh _chemical_formula_sum 'Y2 Tc1 Rh1' _cell_volume 84.33380969 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.63944235 0.00000000 2.88619490 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 1.12529551 0.00000000 4.33877950 1 Y Y3 1 6.15358920 0.00000000 1.43361030 1 [/CIF]
RhTcY2
C2/m
12
monoclinic
2/m
7,474.813347
false
[CIF] data_ScMn2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82930716 _cell_length_b 3.96955541 _cell_length_c 5.36453866 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMn2Ir _chemical_formula_sum 'Sc1 Mn2 Ir1' _cell_volume 60.24962478 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 2.68226933 1 Mn Mn1 1 1.41465358 1.98477771 3.90762609 1 Mn Mn2 1 1.41465358 1.98477771 1.45691257 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrMn2Sc
Pmmm
47
orthorhombic
mmm
9,565.012694
false
[CIF] data_NaBTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22696329 _cell_length_b 4.35770001 _cell_length_c 5.08787773 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBTe2 _chemical_formula_sum 'Na1 B1 Te2' _cell_volume 93.71788340 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 2.11348164 0.00000000 2.54393886 1 Te Te2 1 2.11348164 2.17885001 0.00000000 1 Te Te3 1 0.00000000 2.17885001 2.54393886 1 [/CIF]
BNaTe2
Pmmm
47
orthorhombic
mmm
5,120.656274
false
[CIF] data_K2SiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36283593 _cell_length_b 4.28104468 _cell_length_c 6.89352515 _cell_angle_alpha 90.00000000 _cell_angle_beta 111.82350380 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2SiBi _chemical_formula_sum 'K2 Si1 Bi1' _cell_volume 146.92294150 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.39754159 2.14052234 1.59784148 1 K K1 1 5.07143211 0.00000000 0.50179711 1 K K2 1 -0.27445219 2.14052234 4.17905690 1 Si Si3 1 2.36857989 0.00000000 3.32053912 1 [/CIF]
BiK2Si
Pm
6
monoclinic
m
3,563.131068
false
[CIF] data_NaAu3Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93463682 _cell_length_b 4.93463682 _cell_length_c 4.93463682 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAu3Se _chemical_formula_sum 'Na1 Au3 Se1' _cell_volume 120.16156743 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Au Au1 1 0.00000000 2.46731841 0.00000000 1 Au Au2 1 0.00000000 0.00000000 2.46731841 1 Au Au3 1 2.46731841 0.00000000 0.00000000 1 Se Se4 1 2.46731841 2.46731841 2.46731841 1 [/CIF]
Au3NaSe
Pm-3m
221
cubic
m-3m
9,574.638941
false
[CIF] data_Tb2S3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.81356995 _cell_length_b 13.81356995 _cell_length_c 13.81356995 _cell_angle_alpha 144.82528675 _cell_angle_beta 144.82528675 _cell_angle_gamma 50.59496331 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2S3 _chemical_formula_sum 'Tb16 S24' _cell_volume 870.29708292 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 1.13940429 2.16046594 -0.98194966 1 Tb Tb1 1 3.03449771 2.01343606 11.50691734 1 Tb Tb2 1 -0.00000000 4.17390200 10.39898000 1 Tb Tb3 1 2.08695100 5.16671050 -3.12221675 1 Tb Tb4 1 1.13940429 2.01343606 7.22638316 1 Tb Tb5 1 0.00000000 -0.00000000 20.82318750 1 Tb Tb6 1 3.03449771 2.16046594 -5.26248384 1 Tb Tb7 1 2.08695100 -0.99280850 9.36665025 1 Tb Tb8 1 2.16046594 5.31330629 5.26248384 1 Tb Tb9 1 0.99280850 2.08695100 15.61108375 1 Tb Tb10 1 -0.00000000 0.00000000 4.15454650 1 Tb Tb11 1 3.18109350 2.08695100 3.12221675 1 Tb Tb12 1 2.01343606 -1.13940429 17.75135084 1 Tb Tb13 1 -0.00000000 4.17390200 2.08988700 1 Tb Tb14 1 6.18733806 1.13940429 0.98194966 1 Tb Tb15 1 -2.01343606 3.03449771 13.47081666 1 S S16 1 6.85939055 0.57005484 -1.65054115 1 S S17 1 3.57934218 2.64610778 -2.62710811 1 S S18 1 -2.68548855 3.60384716 10.83832585 1 S S19 1 -1.48841345 3.60384716 7.89497465 1 S S20 1 1.48841345 4.74395684 7.89497465 1 S S21 1 4.76846182 -1.52779422 8.87154161 1 S S22 1 0.59455982 1.52779422 9.86175889 1 S S23 1 2.73063347 4.83548216 -5.82007429 1 S S24 1 3.57934218 1.52779422 8.87154161 1 S S25 1 3.51232184 2.73063347 5.82007429 1 S S26 1 1.44326853 -0.66158016 6.66879271 1 S S27 1 2.64610778 -0.59455982 3.61732539 1 S S28 1 5.70169622 0.59455982 3.61732539 1 S S29 1 0.57005484 2.68548855 4.59389235 1 S S30 1 0.66158016 1.44326853 18.30894129 1 S S31 1 2.64610778 4.76846182 2.62710811 1 S S32 1 -0.57005484 5.66231545 4.59389235 1 S S33 1 3.60384716 2.68548855 14.13940815 1 S S34 1 1.52779422 -0.59455982 15.11597511 1 S S35 1 2.73063347 -0.66158016 12.06450779 1 S S36 1 1.44326853 4.83548216 -0.42435921 1 S S37 1 0.57005484 1.48841345 1.65054115 1 S S38 1 0.66158016 2.73063347 12.91322621 1 S S39 1 3.51232184 1.44326853 0.42435921 1 [/CIF]
S24Tb16
I-42d
122
tetragonal
-42m
6,320.040122
false
[CIF] data_HfSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50353628 _cell_length_b 3.50353628 _cell_length_c 3.61045775 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSb _chemical_formula_sum 'Hf1 Sb1' _cell_volume 44.31752565 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75176814 1.75176814 1.80522888 1 Sb Sb1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfSb
P4/mmm
123
tetragonal
4/mmm
11,250.105853
false
[CIF] data_LaAlBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74583223 _cell_length_b 4.13276646 _cell_length_c 7.13132673 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAlBr2 _chemical_formula_sum 'La1 Al1 Br2' _cell_volume 110.39757175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 1.87291611 2.06638323 1.93039866 1 Br Br2 1 1.87291611 2.06638323 5.20092807 1 La La3 1 0.00000000 0.00000000 3.56566337 1 [/CIF]
AlBr2La
Pmmm
47
orthorhombic
mmm
4,898.923744
false
[CIF] data_Ge2BiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18134334 _cell_length_b 3.18134334 _cell_length_c 7.97571303 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.63635017 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge2BiRh _chemical_formula_sum 'Ge2 Bi1 Rh1' _cell_volume 80.68883807 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.98785651 1 Ge Ge1 1 2.21719796 0.00000000 6.51528971 1 Ge Ge2 1 2.21719796 0.00000000 1.46042332 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiGe2Rh
Cmmm
65
orthorhombic
mmm
9,408.263336
false
[CIF] data_SnB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16133291 _cell_length_b 3.16133291 _cell_length_c 7.79677229 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnB _chemical_formula_sum 'Sn2 B2' _cell_volume 67.48168938 _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 1.58066645 0.91259820 7.73324848 1 B B1 1 0.00000000 1.82519641 0.06352381 1 Sn Sn2 1 1.58066645 0.91259820 2.30923648 1 Sn Sn3 1 0.00000000 1.82519641 5.48753581 1 [/CIF]
B2Sn2
P-3m1
164
trigonal
-3m
6,374.312285
false
[CIF] data_CuTc2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20720076 _cell_length_b 3.20720076 _cell_length_c 6.00027262 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuTc2Sb _chemical_formula_sum 'Cu1 Tc2 Sb1' _cell_volume 61.71962430 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 0.00000000 0.00000000 3.00013631 1 Tc Tc2 1 1.60360038 1.60360038 4.63899491 1 Tc Tc3 1 1.60360038 1.60360038 1.36127771 1 [/CIF]
CuSbTc2
P4/mmm
123
tetragonal
4/mmm
10,307.630403
false
[CIF] data_NaHgP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85625439 _cell_length_b 3.85625439 _cell_length_c 6.00050531 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHgP2 _chemical_formula_sum 'Na1 Hg1 P2' _cell_volume 89.23170183 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.00025266 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 1.92812720 1.92812720 1.92914176 1 P P3 1 1.92812720 1.92812720 4.07136355 1 [/CIF]
HgNaP2
P4/mmm
123
tetragonal
4/mmm
5,313.461643
false
[CIF] data_HfMn2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03510640 _cell_length_b 4.03510640 _cell_length_c 3.54205769 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMn2As _chemical_formula_sum 'Hf1 Mn2 As1' _cell_volume 57.67207957 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 2.01755320 2.01755320 0.00000000 1 Mn Mn2 1 2.01755320 0.00000000 1.77102885 1 Mn Mn3 1 0.00000000 2.01755320 1.77102885 1 [/CIF]
AsHfMn2
P4/mmm
123
tetragonal
4/mmm
10,460.137553
false
[CIF] data_BeGaRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12961031 _cell_length_b 4.12961031 _cell_length_c 2.94509916 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeGaRh2 _chemical_formula_sum 'Be1 Ga1 Rh2' _cell_volume 50.22478240 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 2.06480515 2.06480515 0.00000000 1 Rh Rh2 1 2.06480515 0.00000000 1.47254958 1 Rh Rh3 1 0.00000000 2.06480515 1.47254958 1 [/CIF]
BeGaRh2
P4/mmm
123
tetragonal
4/mmm
9,408.041661
false
[CIF] data_ZnMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51390743 _cell_length_b 5.51390743 _cell_length_c 6.84041444 _cell_angle_alpha 103.04035547 _cell_angle_beta 103.04035547 _cell_angle_gamma 27.43789004 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnMo2 _chemical_formula_sum 'Zn2 Mo4' _cell_volume 93.20930389 _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 Mo Mo0 1 9.34926078 0.00000000 4.55258323 1 Mo Mo1 1 2.34095863 0.00000000 6.52437334 1 Mo Mo2 1 6.78346181 -0.00000000 0.12897547 1 Mo Mo3 1 -0.22484034 -0.00000000 2.10076558 1 Zn Zn4 1 2.62043482 0.00000000 2.37975613 1 Zn Zn5 1 6.50398562 -0.00000000 4.27359268 1 [/CIF]
Mo4Zn2
C2/m
12
monoclinic
2/m
9,167.683569
false
[CIF] data_LaCdPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62446897 _cell_length_b 4.60464133 _cell_length_c 7.12386126 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCdPb2 _chemical_formula_sum 'La1 Cd1 Pb2' _cell_volume 118.89282492 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 0.00000000 0.00000000 3.56193063 1 Pb Pb2 1 1.81223449 2.30232066 5.47607226 1 Pb Pb3 1 1.81223449 2.30232066 1.64778900 1 [/CIF]
CdLaPb2
Pmmm
47
orthorhombic
mmm
9,297.854656
false
[CIF] data_NbFeCoSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39381937 _cell_length_b 4.39381937 _cell_length_c 4.39381937 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbFeCoSn _chemical_formula_sum 'Nb1 Fe1 Co1 Sn1' _cell_volume 59.98070951 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.66034921 4.66034921 4.66034921 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 1.55344974 1.55344974 1.55344973 1 Sn Sn3 1 3.10689947 3.10689947 3.10689947 1 [/CIF]
CoFeNbSn
F-43m
216
cubic
-43m
9,036.087558
false
[CIF] data_NiAg2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61720777 _cell_length_b 4.61720777 _cell_length_c 5.38909546 _cell_angle_alpha 102.96884146 _cell_angle_beta 102.96884146 _cell_angle_gamma 43.20785650 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiAg2Te _chemical_formula_sum 'Ni1 Ag2 Te1' _cell_volume 76.33192925 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.27238987 -0.00000000 5.09866403 1 Ag Ag1 1 1.05249011 -0.00000000 3.82059739 1 Ni Ni2 1 3.59628124 0.00000000 2.55013789 1 Te Te3 1 6.29109457 0.00000000 1.60496759 1 [/CIF]
Ag2NiTe
Cm
8
monoclinic
m
8,745.831468
false
[CIF] data_MgInNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36927785 _cell_length_b 4.36927785 _cell_length_c 4.36927785 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgInNi2 _chemical_formula_sum 'Mg1 In1 Ni2' _cell_volume 58.98125280 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 3.08954600 3.08954600 3.08954600 1 Ni Ni2 1 4.63431900 4.63431900 4.63431900 1 Ni Ni3 1 1.54477300 1.54477300 1.54477300 1 [/CIF]
InMgNi2
Fm-3m
225
cubic
m-3m
7,221.693736
false
[CIF] data_HfPtSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42536701 _cell_length_b 5.42536701 _cell_length_c 5.42536701 _cell_angle_alpha 143.43762601 _cell_angle_beta 143.43762601 _cell_angle_gamma 52.66907356 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfPtSe _chemical_formula_sum 'Hf1 Pt1 Se1' _cell_volume 56.32966702 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 -0.00000000 0.00000000 9.67424467 1 Pt Pt1 1 -0.00000000 0.00000000 3.38486760 1 Se Se2 1 0.00000000 -0.00000000 6.39015989 1 [/CIF]
HfPtSe
I4mm
107
tetragonal
4mm
13,340.224178
false
[CIF] data_Tl3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57359593 _cell_length_b 6.75500329 _cell_length_c 8.33586682 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl3C _chemical_formula_sum 'Tl6 C2' _cell_volume 201.22492636 _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 C C0 1 0.00000000 0.00000000 5.72541260 1 C C1 1 1.78679797 3.37750165 2.61045422 1 Tl Tl2 1 1.78679797 0.00000000 3.94811827 1 Tl Tl3 1 0.00000000 3.37750165 4.38774855 1 Tl Tl4 1 0.00000000 5.00586112 1.47901384 1 Tl Tl5 1 0.00000000 1.74914217 1.47901384 1 Tl Tl6 1 1.78679797 1.62835947 6.85685298 1 Tl Tl7 1 1.78679797 5.12664382 6.85685298 1 [/CIF]
C2Tl6
Pmmn
59
orthorhombic
mmm
10,317.843003
false
[CIF] data_HfBe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82171299 _cell_length_b 4.82171299 _cell_length_c 3.02139153 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.36501173 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBe2Cl _chemical_formula_sum 'Hf1 Be2 Cl1' _cell_volume 61.81049372 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 1.23509410 -2.07045203 1.51069576 1 Be Be1 1 1.23509410 2.07045203 1.51069576 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Hf Hf3 1 2.47018819 0.00000000 0.00000000 1 [/CIF]
Be2ClHf
Cmmm
65
orthorhombic
mmm
6,231.803807
false
[CIF] data_NaAlSiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.21010800 _cell_length_b 7.21010800 _cell_length_c 7.21010800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAlSiO4 _chemical_formula_sum 'Na4 Al4 Si4 O16' _cell_volume 374.82220440 _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 Al Al0 1 1.48927950 2.11577450 5.09433350 1 Al Al1 1 2.11577450 5.09433350 1.48927950 1 Al Al2 1 5.09433350 1.48927950 2.11577450 1 Al Al3 1 5.72082850 5.72082850 5.72082850 1 Na Na4 1 5.65800393 5.15715807 2.05294993 1 Na Na5 1 5.15715807 2.05294993 5.65800393 1 Na Na6 1 2.05294993 5.65800393 5.15715807 1 Na Na7 1 1.55210407 1.55210407 1.55210407 1 O O8 1 2.49825042 1.10680359 6.10330442 1 O O9 1 1.10680359 6.10330442 2.49825042 1 O O10 1 6.10330442 2.49825042 1.10680359 1 O O11 1 4.71185759 4.71185759 4.71185759 1 O O12 1 4.84097386 7.12836098 6.26370694 1 O O13 1 3.52330697 4.55145506 2.36913415 1 O O14 1 2.36913415 3.52330697 4.55145506 1 O O15 1 0.08174703 2.65865294 5.97418815 1 O O16 1 5.97418815 0.08174703 2.65865294 1 O O17 1 7.12836098 6.26370694 4.84097386 1 O O18 1 1.23591986 3.68680103 0.94640106 1 O O19 1 3.68680103 0.94640106 1.23591986 1 O O20 1 6.26370694 4.84097386 7.12836098 1 O O21 1 4.55145506 2.36913415 3.52330697 1 O O22 1 2.65865294 5.97418815 0.08174703 1 O O23 1 0.94640106 1.23591986 3.68680103 1 Si Si24 1 3.43722057 0.16783343 7.04227458 1 Si Si25 1 0.16783343 7.04227458 3.43722057 1 Si Si26 1 7.04227458 3.43722057 0.16783343 1 Si Si27 1 3.77288743 3.77288743 3.77288743 1 [/CIF]
Al4Na4O16Si4
P2_13
198
cubic
23
2,517.320388
false
[CIF] data_CaRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.55710951 _cell_length_b 9.55710951 _cell_length_c 4.29648940 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 161.87407140 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaRh2 _chemical_formula_sum 'Ca2 Rh4' _cell_volume 122.08885353 _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 Ca Ca0 1 1.50543374 -6.13504510 3.22236705 1 Ca Ca1 1 1.50543374 6.13504510 1.07412235 1 Rh Rh2 1 1.50543374 7.95115792 3.22236705 1 Rh Rh3 1 1.50543374 0.80531466 3.22236705 1 Rh Rh4 1 1.50543374 -0.80531466 1.07412235 1 Rh Rh5 1 1.50543374 -7.95115792 1.07412235 1 [/CIF]
Ca2Rh4
Cmcm
63
orthorhombic
mmm
6,688.707097
false
[CIF] data_PrZnSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60156488 _cell_length_b 4.60156488 _cell_length_c 16.63145458 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrZnSn _chemical_formula_sum 'Pr4 Zn4 Sn4' _cell_volume 304.98042542 _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 Pr Pr0 1 0.00000000 0.00000000 8.31572729 1 Pr Pr1 1 0.00000000 0.00000000 0.00000000 1 Pr Pr2 1 0.00000000 0.00000000 4.15786364 1 Pr Pr3 1 0.00000000 0.00000000 12.47359094 1 Zn Zn4 1 -0.00000000 2.65671472 5.73589847 1 Zn Zn5 1 2.30078244 1.32835736 10.89555611 1 Zn Zn6 1 2.30078244 1.32835736 14.05162576 1 Zn Zn7 1 -0.00000000 2.65671472 2.57982882 1 Sn Sn8 1 -0.00000000 2.65671472 14.70641411 1 Sn Sn9 1 2.30078244 1.32835736 1.92504047 1 Sn Sn10 1 2.30078244 1.32835736 6.39068682 1 Sn Sn11 1 -0.00000000 2.65671472 10.24076776 1 [/CIF]
Pr4Sn4Zn4
P6_3/mmc
194
hexagonal
6/mmm
7,078.327533
false
[CIF] data_Ta2SiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82254689 _cell_length_b 2.82254689 _cell_length_c 7.46486473 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2SiNi _chemical_formula_sum 'Ta2 Si1 Ni1' _cell_volume 59.47086745 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.73243237 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.41127344 1.41127344 1.87994340 1 Ta Ta3 1 1.41127344 1.41127344 5.58492133 1 [/CIF]
NiSiTa2
P4/mmm
123
tetragonal
4/mmm
12,527.844861
false
[CIF] data_NiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66391506 _cell_length_b 4.66391506 _cell_length_c 4.66391506 _cell_angle_alpha 132.67193060 _cell_angle_beta 132.67193060 _cell_angle_gamma 69.16983354 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiPt _chemical_formula_sum 'Ni2 Pt2' _cell_volume 53.82185617 _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 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 -0.00000000 1.87196923 1.91986758 1 Pt Pt2 1 1.87196922 -0.00000000 1.91986758 1 Pt Pt3 1 0.00000000 0.00000000 3.83973516 1 [/CIF]
Ni2Pt2
I4_1/amd
141
tetragonal
4/mmm
15,659.336817
false
[CIF] data_SrMgTa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36645433 _cell_length_b 5.36645433 _cell_length_c 5.36645433 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMgTa _chemical_formula_sum 'Sr1 Mg1 Ta1' _cell_volume 109.28166826 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 -0.00000000 0.00000000 1 Sr Sr1 1 1.89732813 1.89732813 1.89732812 1 Ta Ta2 1 3.79465625 3.79465625 3.79465625 1 [/CIF]
MgSrTa
F-43m
216
cubic
-43m
4,450.214446
false
[CIF] data_In2ReCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18177355 _cell_length_b 4.86418302 _cell_length_c 6.12435092 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2ReCl _chemical_formula_sum 'In2 Re1 Cl1' _cell_volume 94.78491873 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 0.00000000 2.43209151 3.06217546 1 In In2 1 1.59088677 2.43209151 0.00000000 1 Re Re3 1 1.59088677 0.00000000 3.06217546 1 [/CIF]
ClIn2Re
Pmmm
47
orthorhombic
mmm
7,906.264506
false
[CIF] data_KHfCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17310110 _cell_length_b 5.17310110 _cell_length_c 2.97144069 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.63664355 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfCu2 _chemical_formula_sum 'K1 Hf1 Cu2' _cell_volume 79.51374117 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81877795 1.83910047 1.48572034 1 Cu Cu1 1 1.81877795 -1.83910046 1.48572034 1 Hf Hf2 1 3.63755590 -0.00000000 0.00000000 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2HfK
Cmmm
65
orthorhombic
mmm
7,198.191096
false
[CIF] data_AlAgO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71170720 _cell_length_b 3.71170720 _cell_length_c 3.71170720 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlAgO3 _chemical_formula_sum 'Al1 Ag1 O3' _cell_volume 51.13533762 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.85585360 1.85585360 1.85585360 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 O O2 1 0.00000000 1.85585360 0.00000000 1 O O3 1 1.85585360 0.00000000 0.00000000 1 O O4 1 0.00000000 0.00000000 1.85585360 1 [/CIF]
AgAlO3
Pm-3m
221
cubic
m-3m
5,937.697089
false
[CIF] data_Al2TcAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17307976 _cell_length_b 3.17307976 _cell_length_c 6.09090524 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2TcAg _chemical_formula_sum 'Al2 Tc1 Ag1' _cell_volume 61.32588449 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.04545262 1 Al Al1 1 1.58653988 1.58653988 4.77108690 1 Al Al2 1 1.58653988 1.58653988 1.31981834 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgAl2Tc
P4/mmm
123
tetragonal
4/mmm
7,060.065592
false
[CIF] data_BaSiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94307986 _cell_length_b 4.94307986 _cell_length_c 4.94307986 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSiOs _chemical_formula_sum 'Ba1 Si1 Os1' _cell_volume 85.40393540 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74764265 1.74764265 1.74764265 1 Os Os1 1 3.49528529 3.49528529 3.49528529 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaOsSi
F-43m
216
cubic
-43m
6,914.883514
false
[CIF] data_LiMgAlCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56439414 _cell_length_b 4.56439414 _cell_length_c 4.56439414 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgAlCr _chemical_formula_sum 'Li1 Mg1 Al1 Cr1' _cell_volume 67.24103973 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.22751405 3.22751405 3.22751405 1 Cr Cr1 1 4.84127107 4.84127108 4.84127108 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Mg Mg3 1 1.61375702 1.61375702 1.61375702 1 [/CIF]
AlCrLiMg
F-43m
216
cubic
-43m
2,722.008147
false
[CIF] data_MgMo2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71073295 _cell_length_b 4.43614341 _cell_length_c 5.28959818 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.62233088 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMo2Os _chemical_formula_sum 'Mg1 Mo2 Os1' _cell_volume 62.71356684 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.03410040 0.00000000 3.90749951 1 Mo Mo1 1 1.70940792 2.21807170 5.18639299 1 Mo Mo2 1 1.83298262 0.00000000 1.31175965 1 Os Os3 1 0.98991062 2.21807170 2.63229440 1 [/CIF]
MgMo2Os
Pm
6
monoclinic
m
10,762.175401
false
[CIF] data_YCd4Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69622067 _cell_length_b 5.69622067 _cell_length_c 5.69622067 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCd4Ni _chemical_formula_sum 'Y1 Cd4 Ni1' _cell_volume 130.69092068 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.01635783 3.01635783 3.01635783 1 Cd Cd1 1 5.03931469 3.01635783 5.03931469 1 Cd Cd2 1 5.03931469 5.03931469 3.01635783 1 Cd Cd3 1 3.01635783 5.03931469 5.03931469 1 Ni Ni4 1 0.00000000 0.00000000 0.00000000 1 Y Y5 1 6.04175439 6.04175439 6.04175439 1 [/CIF]
Cd4NiY
F-43m
216
cubic
-43m
7,588.482381
false
[CIF] data_Na2RuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83331022 _cell_length_b 2.83331022 _cell_length_c 9.62369505 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.12657937 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2RuAu _chemical_formula_sum 'Na2 Ru1 Au1' _cell_volume 73.82984037 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.81184752 1 Na Na1 1 1.68280061 0.00000000 7.21862982 1 Na Na2 1 1.68280061 0.00000000 2.40506523 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuNa2Ru
Cmmm
65
orthorhombic
mmm
7,737.415972
false
[CIF] data_InP2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29311496 _cell_length_b 4.08231444 _cell_length_c 5.16037559 _cell_angle_alpha 90.00000000 _cell_angle_beta 112.65471085 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InP2Cl _chemical_formula_sum 'In1 P2 Cl1' _cell_volume 83.46185439 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.22178462 0.00000000 2.23230688 1 In In1 1 3.00158895 2.04115722 1.18795451 1 P P2 1 -1.85836249 0.00000000 4.51198918 1 P P3 1 -0.89447983 2.04115722 3.97328858 1 [/CIF]
ClInP2
Pm
6
monoclinic
m
4,222.254014
false
[CIF] data_LaInCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32900598 _cell_length_b 3.32900598 _cell_length_c 6.66387889 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.81259592 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaInCo2 _chemical_formula_sum 'La1 In1 Co2' _cell_volume 73.81402461 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 2.31643507 0.00000000 5.29567067 1 Co Co1 1 2.31643507 0.00000000 1.36820822 1 In In2 1 0.00000000 0.00000000 0.00000000 1 La La3 1 0.00000000 0.00000000 3.33193945 1 [/CIF]
Co2InLa
Cmmm
65
orthorhombic
mmm
8,359.379976
false
[CIF] data_ZrBe2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16777094 _cell_length_b 4.16777094 _cell_length_c 3.72069247 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBe2Tl _chemical_formula_sum 'Zr1 Be2 Tl1' _cell_volume 64.62959876 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 2.08388547 1.86034624 1 Be Be1 1 2.08388547 0.00000000 1.86034624 1 Tl Tl2 1 2.08388547 2.08388547 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2TlZr
P4/mmm
123
tetragonal
4/mmm
8,058.190683
false
[CIF] data_Cd2GaCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43157204 _cell_length_b 3.43157204 _cell_length_c 7.81172719 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2GaCl _chemical_formula_sum 'Cd2 Ga1 Cl1' _cell_volume 91.98845171 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71578602 1.71578602 5.76755278 1 Cd Cd1 1 1.71578602 1.71578602 2.04417441 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Ga Ga3 1 0.00000000 0.00000000 3.90586360 1 [/CIF]
Cd2ClGa
P4/mmm
123
tetragonal
4/mmm
5,956.993087
false
[CIF] data_LiNiP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72533051 _cell_length_b 3.72533051 _cell_length_c 3.51910923 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNiP2 _chemical_formula_sum 'Li1 Ni1 P2' _cell_volume 48.83850549 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 1.86266526 1.86266526 0.00000000 1 P P2 1 1.86266526 0.00000000 1.75955462 1 P P3 1 0.00000000 1.86266526 1.75955462 1 [/CIF]
LiNiP2
P4/mmm
123
tetragonal
4/mmm
4,337.863472
false
[CIF] data_ScCuWAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58383626 _cell_length_b 4.58383626 _cell_length_c 4.58383626 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCuWAu _chemical_formula_sum 'Sc1 Cu1 W1 Au1' _cell_volume 68.10394788 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.24126170 3.24126170 3.24126170 1 Cu Cu1 1 1.62063085 1.62063085 1.62063085 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 4.86189255 4.86189255 4.86189255 1 [/CIF]
AuCuScW
F-43m
216
cubic
-43m
11,930.524934
false
[CIF] data_ZnSiPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36872686 _cell_length_b 4.36872686 _cell_length_c 4.36872686 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnSiPd2 _chemical_formula_sum 'Zn1 Si1 Pd2' _cell_volume 58.95894196 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.08915639 3.08915639 3.08915639 1 Pd Pd1 1 4.63373459 4.63373459 4.63373459 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 1.54457819 1.54457820 1.54457820 1 [/CIF]
Pd2SiZn
F-43m
216
cubic
-43m
8,626.889021
false
[CIF] data_ZrZnBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85168106 _cell_length_b 4.85168106 _cell_length_c 4.85168106 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrZnBi _chemical_formula_sum 'Zr1 Zn1 Bi1' _cell_volume 80.75357046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.43065658 3.43065658 3.43065658 1 Zn Zn1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 5.14598487 5.14598487 5.14598487 1 [/CIF]
BiZnZr
F-43m
216
cubic
-43m
7,517.527397
false
[CIF] data_HgGeTeC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84463308 _cell_length_b 4.84463308 _cell_length_c 4.84463308 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgGeTeC _chemical_formula_sum 'Hg1 Ge1 Te1 C1' _cell_volume 80.40215178 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.00000000 0.00000000 1 Ge Ge1 1 5.13850935 5.13850935 5.13850935 1 Hg Hg2 1 3.42567290 3.42567290 3.42567290 1 Te Te3 1 1.71283645 1.71283645 1.71283645 1 [/CIF]
CGeHgTe
F-43m
216
cubic
-43m
8,526.365221
false
[CIF] data_Be2RuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45018628 _cell_length_b 4.45018628 _cell_length_c 4.37188696 _cell_angle_alpha 111.36679518 _cell_angle_beta 111.36679518 _cell_angle_gamma 38.30158407 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2RuW _chemical_formula_sum 'Be2 Ru1 W1' _cell_volume 49.51148182 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.88958939 -0.00000000 0.81044666 1 Be Be1 1 0.83206767 0.00000000 3.22319638 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.36082853 -0.00000000 2.01682152 1 [/CIF]
Be2RuW
C2/m
12
monoclinic
2/m
10,159.95336
false
[CIF] data_La2YNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45657418 _cell_length_b 5.45657418 _cell_length_c 3.74772037 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2YNi _chemical_formula_sum 'La2 Y1 Ni1' _cell_volume 111.58538239 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.72828709 0.00000000 1.87386019 1 La La1 1 0.00000000 2.72828709 1.87386019 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 2.72828709 2.72828709 0.00000000 1 [/CIF]
La2NiY
P4/mmm
123
tetragonal
4/mmm
6,330.681171
false
[CIF] data_FeTeRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67048467 _cell_length_b 4.67048467 _cell_length_c 4.68288521 _cell_angle_alpha 105.19716617 _cell_angle_beta 105.19716617 _cell_angle_gamma 38.77277931 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeTeRh2 _chemical_formula_sum 'Fe1 Te1 Rh2' _cell_volume 61.44988726 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.12083003 0.00000000 3.54229309 1 Rh Rh1 1 7.46399921 -0.00000000 4.35824875 1 Rh Rh2 1 6.34485776 0.00000000 1.09060555 1 Te Te3 1 3.84528062 0.00000000 2.25492592 1 [/CIF]
FeRh2Te
Cm
8
monoclinic
m
10,518.730363
false
[CIF] data_AgSbP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09313570 _cell_length_b 3.09313570 _cell_length_c 8.50857453 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.88310559 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSbP2 _chemical_formula_sum 'Ag1 Sb1 P2' _cell_volume 77.47257206 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 1.82065129 0.00000000 1.96506677 1 P P2 1 1.82065129 0.00000000 6.54350776 1 Sb Sb3 1 0.00000000 0.00000000 4.25428726 1 [/CIF]
AgP2Sb
Cmmm
65
orthorhombic
mmm
6,249.603798
false
[CIF] data_P2IrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39043938 _cell_length_b 4.39043938 _cell_length_c 4.39043938 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P2IrPt _chemical_formula_sum 'P2 Ir1 Pt1' _cell_volume 59.84239388 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10450946 3.10450946 3.10450946 1 P P1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 1.55225473 1.55225473 1.55225473 1 Pt Pt3 1 4.65676419 4.65676419 4.65676419 1 [/CIF]
IrP2Pt
F-43m
216
cubic
-43m
12,465.990685
false
[CIF] data_Co2AgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29403096 _cell_length_b 4.29403096 _cell_length_c 4.29403096 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2AgPd _chemical_formula_sum 'Co2 Ag1 Pd1' _cell_volume 55.98613875 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.03633841 3.03633841 3.03633841 1 Co Co1 1 4.55450762 4.55450762 4.55450762 1 Co Co2 1 1.51816920 1.51816920 1.51816920 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCo2Pd
Fm-3m
225
cubic
m-3m
9,851.646946
false
[CIF] data_CaZr2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74220724 _cell_length_b 4.74220724 _cell_length_c 3.80557732 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZr2Rh _chemical_formula_sum 'Ca1 Zr2 Rh1' _cell_volume 85.58183785 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 2.37110362 2.37110362 0.00000000 1 Zr Zr2 1 2.37110362 0.00000000 1.90278866 1 Zr Zr3 1 0.00000000 2.37110362 1.90278866 1 [/CIF]
CaRhZr2
P4/mmm
123
tetragonal
4/mmm
6,314.327114
false
[CIF] data_RePtPbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75919158 _cell_length_b 4.75919158 _cell_length_c 4.75919158 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RePtPbAu _chemical_formula_sum 'Re1 Pt1 Pb1 Au1' _cell_volume 76.22274153 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68262832 1.68262832 1.68262832 1 Pb Pb1 1 3.36525664 3.36525664 3.36525664 1 Pt Pt2 1 5.04788496 5.04788496 5.04788496 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuPbPtRe
F-43m
216
cubic
-43m
17,111.467683
false
[CIF] data_Mg2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49365048 _cell_length_b 4.49365048 _cell_length_c 3.02117462 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Be _chemical_formula_sum 'Mg2 Be1' _cell_volume 52.83297160 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 -0.00000000 2.59441031 0.82205602 1 Mg Mg2 1 2.24682524 1.29720516 2.19911860 1 [/CIF]
BeMg2
P-3m1
164
trigonal
-3m
1,811.063838
false
[CIF] data_SrAl2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46974196 _cell_length_b 3.46974196 _cell_length_c 7.44181657 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAl2Au _chemical_formula_sum 'Sr1 Al2 Au1' _cell_volume 89.59284285 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73487098 1.73487098 0.44826422 1 Al Al1 1 0.00000000 0.00000000 1.98790284 1 Au Au2 1 1.73487098 1.73487098 3.21003859 1 Sr Sr3 1 0.00000000 0.00000000 5.51651920 1 [/CIF]
Al2AuSr
P4mm
99
tetragonal
4mm
6,274.774811
false
[CIF] data_BaSc2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31153364 _cell_length_b 3.31153364 _cell_length_c 9.59191280 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSc2Os _chemical_formula_sum 'Ba1 Sc2 Os1' _cell_volume 105.18736195 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 0.00000000 0.00000000 4.79595640 1 Sc Sc2 1 1.65576682 1.65576682 6.31049737 1 Sc Sc3 1 1.65576682 1.65576682 3.28141543 1 [/CIF]
BaOsSc2
P4/mmm
123
tetragonal
4/mmm
6,590.670267
false
[CIF] data_V2TePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48966151 _cell_length_b 4.48966151 _cell_length_c 4.48966151 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2TePt _chemical_formula_sum 'V2 Te1 Pt1' _cell_volume 63.99201723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.17467010 3.17467010 3.17467010 1 Te Te1 1 0.00000000 -0.00000000 0.00000000 1 V V2 1 1.58733505 1.58733505 1.58733505 1 V V3 1 4.76200515 4.76200515 4.76200515 1 [/CIF]
PtTeV2
Fm-3m
225
cubic
m-3m
11,017.156832
false
[CIF] data_TcIrRhW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40052820 _cell_length_b 4.40052820 _cell_length_c 4.40052820 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcIrRhW _chemical_formula_sum 'Tc1 Ir1 Rh1 W1' _cell_volume 60.25587911 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.66746500 4.66746500 4.66746500 1 Rh Rh1 1 3.11164333 3.11164333 3.11164333 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.55582167 1.55582167 1.55582167 1 [/CIF]
IrRhTcW
F-43m
216
cubic
-43m
15,924.978041
false
[CIF] data_Sc2ZnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33730662 _cell_length_b 3.33730662 _cell_length_c 6.62173667 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2ZnPt _chemical_formula_sum 'Sc2 Zn1 Pt1' _cell_volume 73.75035681 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.31086833 1 Sc Sc1 1 1.66865331 1.66865331 4.91329398 1 Sc Sc2 1 1.66865331 1.66865331 1.70844269 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtSc2Zn
P4/mmm
123
tetragonal
4/mmm
7,888.948188
false
[CIF] data_LiCdAgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53444842 _cell_length_b 4.53444842 _cell_length_c 4.53444842 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCdAgRu _chemical_formula_sum 'Li1 Cd1 Ag1 Ru1' _cell_volume 65.92625437 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 4.80950884 4.80950884 4.80950884 1 Cd Cd1 1 3.20633923 3.20633923 3.20633923 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 1.60316961 1.60316961 1.60316962 1 [/CIF]
AgCdLiRu
F-43m
216
cubic
-43m
8,268.916648
false
[CIF] data_MnCrSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51658374 _cell_length_b 4.51658374 _cell_length_c 4.51658374 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCrSe2 _chemical_formula_sum 'Mn1 Cr1 Se2' _cell_volume 65.15011733 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 3.19370699 3.19370699 3.19370699 1 Se Se2 1 1.59685350 1.59685350 1.59685350 1 Se Se3 1 4.79056049 4.79056049 4.79056049 1 [/CIF]
CrMnSe2
Fm-3m
225
cubic
m-3m
6,750.573488
false
[CIF] data_Ta2ZnB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82093998 _cell_length_b 2.82093998 _cell_length_c 7.44481706 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 103.07205547 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2ZnB _chemical_formula_sum 'Ta2 Zn1 B1' _cell_volume 57.70842225 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 1.75468788 0.00000000 1.50222040 1 Ta Ta2 1 1.75468788 0.00000000 5.94259666 1 Zn Zn3 1 0.00000000 0.00000000 3.72240853 1 [/CIF]
BTa2Zn
Cmmm
65
orthorhombic
mmm
12,605.788743
false
[CIF] data_Mg(ScGa)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.15911804 _cell_length_b 7.15911804 _cell_length_c 3.92145123 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg(ScGa)2 _chemical_formula_sum 'Mg2 Sc4 Ga4' _cell_volume 200.98602660 _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 Ga Ga0 1 2.68076898 6.26032800 0.00000000 1 Ga Ga1 1 4.47834906 0.89879004 0.00000000 1 Ga Ga2 1 0.89879004 2.68076898 0.00000000 1 Ga Ga3 1 6.26032800 4.47834906 0.00000000 1 Mg Mg4 1 0.00000000 0.00000000 0.00000000 1 Mg Mg5 1 3.57955902 3.57955902 0.00000000 1 Sc Sc6 1 1.23738955 4.81694857 1.96072562 1 Sc Sc7 1 5.92172849 2.34216947 1.96072562 1 Sc Sc8 1 2.34216947 1.23738955 1.96072562 1 Sc Sc9 1 4.81694857 5.92172849 1.96072562 1 [/CIF]
Ga4Mg2Sc4
P4/mbm
127
tetragonal
4/mmm
4,191.50561
false
[CIF] data_ZrInAgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08034285 _cell_length_b 5.08034285 _cell_length_c 5.08034285 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrInAgPb _chemical_formula_sum 'Zr1 In1 Ag1 Pb1' _cell_volume 92.71800275 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.59234488 3.59234488 3.59234488 1 In In1 1 1.79617244 1.79617244 1.79617244 1 Pb Pb2 1 5.38851732 5.38851732 5.38851732 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgInPbZr
F-43m
216
cubic
-43m
9,332.856829
false
[CIF] data_Na2HfCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00313362 _cell_length_b 7.00313362 _cell_length_c 7.00313362 _cell_angle_alpha 155.98665791 _cell_angle_beta 140.20504479 _cell_angle_gamma 47.01627421 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2HfCu _chemical_formula_sum 'Na2 Hf1 Cu1' _cell_volume 89.19398469 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 0.00000000 0.00000000 6.42189758 1 Na Na2 1 0.00000000 2.38343357 3.91256474 1 Na Na3 1 1.45683091 0.00000000 2.50933285 1 [/CIF]
CuHfNa2
Immm
71
orthorhombic
mmm
5,362.136376
false
[CIF] data_SrSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34332744 _cell_length_b 6.34332744 _cell_length_c 5.55502445 _cell_angle_alpha 112.23917139 _cell_angle_beta 112.23917139 _cell_angle_gamma 38.42921586 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSb3 _chemical_formula_sum 'Sr1 Sb3' _cell_volume 127.28233161 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.87672588 -0.00000000 2.54465947 1 Sb Sb1 1 8.63890832 0.00000000 1.74201031 1 Sb Sb2 1 1.11454345 0.00000000 3.34730863 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sb3Sr
C2/m
12
monoclinic
2/m
5,908.582391
false