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_PdPtRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40707182 _cell_length_b 4.40707182 _cell_length_c 4.40707182 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PdPtRh2 _chemical_formula_sum 'Pd1 Pt1 Rh2' _cell_volume 60.52508203 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.11627037 3.11627037 3.11627037 1 Pt Pt1 1 1.55813519 1.55813518 1.55813519 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 4.67440556 4.67440556 4.67440555 1 [/CIF]
PdPtRh2
F-43m
216
cubic
-43m
13,918.467324
false
[CIF] data_Si5Br24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.86446037 _cell_length_b 11.86446037 _cell_length_c 11.86446037 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si5Br24 _chemical_formula_sum 'Si5 Br24' _cell_volume 1285.64800324 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.84742779 -0.84742779 3.38708899 1 Br Br1 1 -0.84742779 0.84742779 3.38708899 1 Br Br2 1 0.84742779 0.84742779 10.31280979 1 Br Br3 1 6.00252160 6.00252160 3.46286040 1 Br Br4 1 0.84742779 10.31280979 0.84742779 1 Br Br5 1 6.00252160 3.46286040 6.00252160 1 Br Br6 1 -0.84742779 3.38708899 0.84742779 1 Br Br7 1 0.84742779 3.38708899 -0.84742779 1 Br Br8 1 3.38708899 -0.84742779 0.84742779 1 Br Br9 1 3.38708899 0.84742779 -0.84742779 1 Br Br10 1 3.46286040 6.00252160 6.00252160 1 Br Br11 1 10.31280979 0.84742779 0.84742779 1 Br Br12 1 -2.47808105 2.47808105 8.65617329 1 Br Br13 1 2.47808105 -2.47808105 8.65617329 1 Br Br14 1 4.37186834 4.37186834 -1.80622390 1 Br Br15 1 2.47808105 2.47808105 5.04372549 1 Br Br16 1 4.37186834 -1.80622390 4.37186834 1 Br Br17 1 2.47808105 5.04372549 2.47808105 1 Br Br18 1 2.47808105 8.65617329 -2.47808105 1 Br Br19 1 -2.47808105 8.65617329 2.47808105 1 Br Br20 1 8.65617329 2.47808105 -2.47808105 1 Br Br21 1 8.65617329 -2.47808105 2.47808105 1 Br Br22 1 5.04372549 2.47808105 2.47808105 1 Br Br23 1 -1.80622390 4.37186834 4.37186834 1 Si Si24 1 3.97721789 -3.97721789 3.97721789 1 Si Si25 1 -3.97721789 3.97721789 3.97721789 1 Si Si26 1 3.97721789 3.97721789 -3.97721789 1 Si Si27 1 2.87273150 2.87273150 2.87273150 1 Si Si28 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br24Si5
I-43m
217
cubic
-43m
2,658.266078
false
[CIF] data_KHf2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17470476 _cell_length_b 3.17470476 _cell_length_c 9.66822884 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHf2Be _chemical_formula_sum 'K1 Hf2 Be1' _cell_volume 97.44366414 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 1.58735238 1.58735238 1.46044523 1 Hf Hf2 1 1.58735238 1.58735238 8.20778361 1 K K3 1 0.00000000 0.00000000 4.83411442 1 [/CIF]
BeHf2K
P4/mmm
123
tetragonal
4/mmm
6,903.154172
false
[CIF] data_HfFeSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.64893758 _cell_length_b 9.64893758 _cell_length_c 9.64893758 _cell_angle_alpha 149.13868373 _cell_angle_beta 133.00242739 _cell_angle_gamma 57.28635059 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfFeSi2 _chemical_formula_sum 'Hf6 Fe6 Si12' _cell_volume 334.56738986 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96018461 0.00000000 1 Fe Fe1 1 0.00000000 5.73445026 0.00000000 1 Fe Fe2 1 1.28365583 -1.92365872 4.23405999 1 Fe Fe3 1 1.28365583 1.92365872 -4.23405998 1 Fe Fe4 1 1.28365583 1.92365872 4.23405999 1 Fe Fe5 1 -1.28365583 1.92365872 4.23405998 1 Hf Hf6 1 2.56731167 1.83652021 1.62161635 1 Hf Hf7 1 -0.00000000 2.01079723 10.08973632 1 Hf Hf8 1 -0.00000000 -0.00000000 2.39991779 1 Hf Hf9 1 -0.00000000 -0.00000000 14.53632215 1 Hf Hf10 1 2.56731166 1.83652021 -1.62161635 1 Hf Hf11 1 -0.00000000 2.01079723 6.84650362 1 Si Si12 1 1.30735376 -0.00000000 -0.00000000 1 Si Si13 1 3.82726957 -0.00000000 0.00000000 1 Si Si14 1 1.32669866 3.84731744 -0.00000000 1 Si Si15 1 1.24061300 -0.00000000 8.46811997 1 Si Si16 1 0.00000000 2.68326695 2.36050411 1 Si Si17 1 0.00000000 5.01136792 2.36050411 1 Si Si18 1 0.00000000 0.00000000 11.89211807 1 Si Si19 1 2.56731167 0.00000000 3.63038118 1 Si Si20 1 0.00000000 3.84731743 4.83773879 1 Si Si21 1 -0.00000000 -0.00000000 5.04412187 1 Si Si22 1 2.56731167 -1.16405048 6.10761586 1 Si Si23 1 2.56731167 1.16405048 6.10761586 1 [/CIF]
Fe6Hf6Si12
Immm
71
orthorhombic
mmm
8,651.11024
false
[CIF] data_Na2CoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68730418 _cell_length_b 3.59199493 _cell_length_c 8.23517508 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CoRu _chemical_formula_sum 'Na2 Co1 Ru1' _cell_volume 79.49235793 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.61574368 1 Na Na1 1 1.34365209 1.79599746 7.71092729 1 Na Na2 1 0.00000000 0.00000000 2.53669473 1 Ru Ru3 1 1.34365209 1.79599746 4.72457207 1 [/CIF]
CoNa2Ru
Pmm2
25
orthorhombic
mm2
4,302.833442
false
[CIF] data_KCoTcHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81349822 _cell_length_b 4.81349822 _cell_length_c 4.81349822 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCoTcHg _chemical_formula_sum 'K1 Co1 Tc1 Hg1' _cell_volume 78.86193843 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.10548584 5.10548585 5.10548585 1 Hg Hg1 1 3.40365723 3.40365723 3.40365723 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 1.70182861 1.70182861 1.70182861 1 [/CIF]
CoHgKTc
F-43m
216
cubic
-43m
8,370.454503
false
[CIF] data_Ti2AlIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12020730 _cell_length_b 5.12020730 _cell_length_c 5.12020730 _cell_angle_alpha 142.75419173 _cell_angle_beta 130.28425405 _cell_angle_gamma 63.72842101 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2AlIr _chemical_formula_sum 'Ti2 Al1 Ir1' _cell_volume 61.21612707 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 -0.00000000 0.00000000 4.34860029 1 Ti Ti2 1 0.00000000 2.15237535 2.03710355 1 Ti Ti3 1 1.63507756 0.00000000 2.31149675 1 [/CIF]
AlIrTi2
Immm
71
orthorhombic
mmm
8,542.96586
false
[CIF] data_ZnNi2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45340087 _cell_length_b 4.45340087 _cell_length_c 4.45340087 _cell_angle_alpha 130.44568100 _cell_angle_beta 130.44568100 _cell_angle_gamma 72.69526868 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnNi2Rh _chemical_formula_sum 'Zn1 Ni2 Rh1' _cell_volume 49.97827341 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86637653 1.79346429 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 1.86637653 0.00000000 1.79346429 1 Zn Zn3 1 0.00000000 0.00000000 3.58692857 1 [/CIF]
Ni2RhZn
I-4m2
119
tetragonal
-42m
9,491.524657
false
[CIF] data_LiPIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78014644 _cell_length_b 4.04514037 _cell_length_c 4.83624942 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.55276184 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiPIr2 _chemical_formula_sum 'Li1 P1 Ir2' _cell_volume 54.36888860 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.71220099 2.02257019 3.59977374 1 Ir Ir1 1 1.93689523 2.02257019 1.23469979 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 P P3 1 1.32454811 0.00000000 2.41723677 1 [/CIF]
Ir2LiP
P2/m
10
monoclinic
2/m
12,899.410621
false
[CIF] data_TcB2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05379610 _cell_length_b 4.05379610 _cell_length_c 3.59292833 _cell_angle_alpha 90.07272762 _cell_angle_beta 90.07272762 _cell_angle_gamma 44.22200532 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcB2Ir _chemical_formula_sum 'Tc1 B2 Ir1' _cell_volume 41.17930801 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.13309190 0.00000000 3.22881108 1 B B1 1 6.01889823 0.00000000 1.32185387 1 Ir Ir2 1 3.85370122 -0.00000000 1.31673733 1 Tc Tc3 1 1.76032796 -0.00000000 3.11491012 1 [/CIF]
B2IrTc
Cm
8
monoclinic
m
12,611.324657
false
[CIF] data_Y2NbAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80178476 _cell_length_b 5.80178476 _cell_length_c 5.17831256 _cell_angle_alpha 106.94747588 _cell_angle_beta 106.94747588 _cell_angle_gamma 34.50753449 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2NbAs _chemical_formula_sum 'Y2 Nb1 As1' _cell_volume 94.03437219 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.37429498 -0.00000000 2.60350172 1 Nb Nb1 1 8.42886404 -0.00000000 1.26057271 1 Y Y2 1 0.09827801 0.00000000 0.16939685 1 Y Y3 1 1.34981846 -0.00000000 3.36332314 1 [/CIF]
AsNbY2
Cm
8
monoclinic
m
6,103.599973
false
[CIF] data_BaZr2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48873824 _cell_length_b 3.48873824 _cell_length_c 8.58284744 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZr2Tc _chemical_formula_sum 'Ba1 Zr2 Tc1' _cell_volume 104.46436390 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74436912 1.74436912 4.64261264 1 Tc Tc1 1 0.00000000 0.00000000 7.03946076 1 Zr Zr2 1 1.74436912 1.74436912 8.28246246 1 Zr Zr3 1 0.00000000 0.00000000 1.49258275 1 [/CIF]
BaTcZr2
P4mm
99
tetragonal
4mm
6,655.250299
false
[CIF] data_ZrReSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90461907 _cell_length_b 5.90461907 _cell_length_c 5.90461907 _cell_angle_alpha 149.46056362 _cell_angle_beta 149.46056362 _cell_angle_gamma 43.73381765 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrReSe _chemical_formula_sum 'Zr1 Re1 Se1' _cell_volume 53.00514215 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000000 0.00000000 10.71430562 1 Se Se1 1 -0.00000000 0.00000000 3.91060977 1 Zr Zr2 1 0.00000000 -0.00000000 7.29424737 1 [/CIF]
ReSeZr
I4mm
107
tetragonal
4mm
11,165.04866
false
[CIF] data_ZnNi2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83190101 _cell_length_b 2.83190101 _cell_length_c 6.57771648 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnNi2Ag _chemical_formula_sum 'Zn1 Ni2 Ag1' _cell_volume 52.75107159 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.28885824 1 Ni Ni1 1 1.41595050 1.41595050 5.11117230 1 Ni Ni2 1 1.41595050 1.41595050 1.46654418 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgNi2Zn
P4/mmm
123
tetragonal
4/mmm
9,148.833634
false
[CIF] data_Ba2ZnCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67680670 _cell_length_b 5.67680670 _cell_length_c 5.67680670 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2ZnCd _chemical_formula_sum 'Ba2 Zn1 Cd1' _cell_volume 129.35919978 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.02116276 6.02116276 6.02116276 1 Ba Ba1 1 4.01410851 4.01410851 4.01410851 1 Cd Cd2 1 2.00705425 2.00705425 2.00705425 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2CdZn
F-43m
216
cubic
-43m
5,807.87914
false
[CIF] data_TaPPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27960904 _cell_length_b 4.27960904 _cell_length_c 4.27960904 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaPPt _chemical_formula_sum 'Ta1 P1 Pt1' _cell_volume 55.42392643 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 1.51307028 1.51307028 1.51307028 1 Ta Ta2 1 3.02614057 3.02614057 3.02614057 1 [/CIF]
PPtTa
F-43m
216
cubic
-43m
12,194.169781
false
[CIF] data_AlInOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.21482346 _cell_length_b 6.95924288 _cell_length_c 2.93447578 _cell_angle_alpha 82.98450043 _cell_angle_beta 73.20683958 _cell_angle_gamma 23.80865999 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlInOs _chemical_formula_sum 'Al1 In1 Os1' _cell_volume 52.94766101 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57932453 2.47323313 13.32264371 1 In In1 1 1.57932453 2.47323313 9.11971663 1 Os Os2 1 1.57932453 2.47323313 4.66831504 1 [/CIF]
AlInOs
Fmm2
42
orthorhombic
mm2
10,413.076037
false
[CIF] data_TlTc2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54075265 _cell_length_b 4.54075265 _cell_length_c 4.54075265 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlTc2Pd _chemical_formula_sum 'Tl1 Tc2 Pd1' _cell_volume 66.20160782 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 0.00000000 0.00000000 0.00000000 1 Tc Tc1 1 4.81619549 4.81619549 4.81619548 1 Tc Tc2 1 1.60539849 1.60539849 1.60539850 1 Tl Tl3 1 3.21079699 3.21079699 3.21079699 1 [/CIF]
PdTc2Tl
Fm-3m
225
cubic
m-3m
12,757.639391
false
[CIF] data_TaAs2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87685283 _cell_length_b 2.87685283 _cell_length_c 9.38223284 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.04967854 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAs2Pt _chemical_formula_sum 'Ta1 As2 Pt1' _cell_volume 77.63697605 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01552305 0.00000000 0.55909514 1 As As1 1 0.00000000 0.00000000 6.47068487 1 Pt Pt2 1 2.01552305 0.00000000 4.49907037 1 Ta Ta3 1 0.00000000 0.00000000 2.54449889 1 [/CIF]
As2PtTa
Cmm2
35
orthorhombic
mm2
11,247.683242
false
[CIF] data_AgMo2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91139460 _cell_length_b 3.91139460 _cell_length_c 4.10207093 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgMo2Ir _chemical_formula_sum 'Ag1 Mo2 Ir1' _cell_volume 62.75761481 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 1.95569730 1.95569730 0.00000000 1 Mo Mo2 1 1.95569730 0.00000000 2.05103547 1 Mo Mo3 1 0.00000000 1.95569730 2.05103547 1 [/CIF]
AgIrMo2
P4/mmm
123
tetragonal
4/mmm
13,018.242615
false
[CIF] data_NaTlSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50769619 _cell_length_b 5.50769619 _cell_length_c 5.50769619 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTlSb3 _chemical_formula_sum 'Na1 Tl1 Sb3' _cell_volume 167.07440702 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 0.00000000 2.75384810 0.00000000 1 Sb Sb1 1 0.00000000 0.00000000 2.75384810 1 Sb Sb2 1 2.75384810 0.00000000 0.00000000 1 Tl Tl3 1 2.75384810 2.75384810 2.75384810 1 Na Na4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NaSb3Tl
Pm-3m
221
cubic
m-3m
5,890.331093
false
[CIF] data_BeNiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.56247117 _cell_length_b 2.78340380 _cell_length_c 4.17564753 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNiB2 _chemical_formula_sum 'Be1 Ni1 B2' _cell_volume 29.78235500 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.06419261 1 B B1 1 1.28123558 1.39170190 1.01739147 1 Be Be2 1 0.00000000 0.00000000 1.99053982 1 Ni Ni3 1 1.28123558 1.39170190 3.19134744 1 [/CIF]
B2BeNi
Pmm2
25
orthorhombic
mm2
4,980.530909
false
[CIF] data_NiMoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71061089 _cell_length_b 3.71061089 _cell_length_c 3.71061089 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiMoO3 _chemical_formula_sum 'Ni1 Mo1 O3' _cell_volume 51.09004021 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 1.85530545 1.85530545 1.85530545 1 O O2 1 0.00000000 1.85530545 0.00000000 1 O O3 1 0.00000000 0.00000000 1.85530545 1 O O4 1 1.85530545 0.00000000 0.00000000 1 [/CIF]
MoNiO3
Pm-3m
221
cubic
m-3m
6,586.624269
false
[CIF] data_TcBiIrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88221096 _cell_length_b 4.88221096 _cell_length_c 4.88221096 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcBiIrPb _chemical_formula_sum 'Tc1 Bi1 Ir1 Pb1' _cell_volume 82.28764384 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.45224448 3.45224448 3.45224448 1 Ir Ir1 1 1.72612224 1.72612224 1.72612224 1 Pb Pb2 1 5.17836672 5.17836672 5.17836672 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiIrPbTc
F-43m
216
cubic
-43m
14,273.166722
false
[CIF] data_SrPaAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14783636 _cell_length_b 5.14783636 _cell_length_c 5.14783636 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrPaAs2 _chemical_formula_sum 'Sr1 Pa1 As2' _cell_volume 96.46265294 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.46010500 5.46010500 5.46010500 1 As As1 1 1.82003500 1.82003500 1.82003500 1 Pa Pa2 1 3.64007000 3.64007000 3.64007000 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2PaSr
Fm-3m
225
cubic
m-3m
8,064.893524
false
[CIF] data_AlSiAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61292831 _cell_length_b 4.61292831 _cell_length_c 4.61292831 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSiAg2 _chemical_formula_sum 'Al1 Si1 Ag2' _cell_volume 69.40889305 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.26183289 3.26183289 3.26183289 1 Ag Ag1 1 4.89274934 4.89274934 4.89274934 1 Al Al2 1 0.00000000 0.00000000 0.00000000 1 Si Si3 1 1.63091645 1.63091645 1.63091645 1 [/CIF]
Ag2AlSi
F-43m
216
cubic
-43m
6,478.704232
false
[CIF] data_Be2ZnSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.56367026 _cell_length_b 3.46889294 _cell_length_c 5.20076706 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2ZnSi _chemical_formula_sum 'Be2 Zn1 Si1' _cell_volume 46.25092940 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.28183513 1.73444647 4.01873927 1 Be Be1 1 1.28183513 1.73444647 1.18202779 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 2.60038353 1 [/CIF]
Be2SiZn
Pmmm
47
orthorhombic
mmm
4,002.801178
false
[CIF] data_Na2MgGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17953574 _cell_length_b 5.07579730 _cell_length_c 6.13815528 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2MgGa _chemical_formula_sum 'Na2 Mg1 Ga1' _cell_volume 99.06171725 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.06907764 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 1.58976787 2.53789865 1.60677226 1 Na Na3 1 1.58976787 2.53789865 4.53138302 1 [/CIF]
GaMgNa2
Pmmm
47
orthorhombic
mmm
2,346.900436
false
[CIF] data_HfTiBeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40967639 _cell_length_b 4.40967639 _cell_length_c 4.40967639 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTiBeIr _chemical_formula_sum 'Hf1 Ti1 Be1 Ir1' _cell_volume 60.63245610 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.11811208 3.11811208 3.11811208 1 Ir Ir2 1 1.55905604 1.55905604 1.55905604 1 Ti Ti3 1 4.67716812 4.67716812 4.67716812 1 [/CIF]
BeHfIrTi
F-43m
216
cubic
-43m
11,710.288602
false
[CIF] data_MnTlCrCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52733701 _cell_length_b 4.52733701 _cell_length_c 4.52733701 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTlCrCd _chemical_formula_sum 'Mn1 Tl1 Cr1 Cd1' _cell_volume 65.61656240 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60065535 1.60065535 1.60065535 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 4.80196605 4.80196605 4.80196605 1 Tl Tl3 1 3.20131070 3.20131070 3.20131070 1 [/CIF]
CdCrMnTl
F-43m
216
cubic
-43m
10,723.171267
false
[CIF] data_Mg3CuC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73086194 _cell_length_b 4.73086194 _cell_length_c 4.73086194 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3CuC _chemical_formula_sum 'Mg3 Cu1 C1' _cell_volume 105.88167984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.36543097 0.00000000 2.36543097 1 Mg Mg1 1 2.36543097 2.36543097 0.00000000 1 Mg Mg2 1 0.00000000 2.36543097 2.36543097 1 C C3 1 0.00000000 0.00000000 0.00000000 1 Cu Cu4 1 2.36543097 2.36543097 2.36543097 1 [/CIF]
CCuMg3
Pm-3m
221
cubic
m-3m
2,328.477018
false
[CIF] data_TiAsAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88921128 _cell_length_b 2.88921128 _cell_length_c 8.89282051 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAsAu2 _chemical_formula_sum 'Ti1 As1 Au2' _cell_volume 74.23319111 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.44460564 1.44460564 6.27702181 1 Au Au1 1 0.00000000 0.00000000 0.22755661 1 Au Au2 1 1.44460564 1.44460564 2.44270911 1 Ti Ti3 1 0.00000000 0.00000000 4.39194324 1 [/CIF]
AsAu2Ti
P4mm
99
tetragonal
4mm
11,558.665601
false
[CIF] data_TaTlGaRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66737973 _cell_length_b 4.66737973 _cell_length_c 4.66737973 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTlGaRh _chemical_formula_sum 'Ta1 Tl1 Ga1 Rh1' _cell_volume 71.89594733 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 3.30033586 3.30033586 3.30033586 1 Ta Ta2 1 1.65016793 1.65016793 1.65016793 1 Tl Tl3 1 4.95050379 4.95050379 4.95050379 1 [/CIF]
GaRhTaTl
F-43m
216
cubic
-43m
12,886.871662
false
[CIF] data_ZrRuAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74408290 _cell_length_b 8.74408290 _cell_length_c 8.74408290 _cell_angle_alpha 21.17658340 _cell_angle_beta 21.17658340 _cell_angle_gamma 21.17658340 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrRuAu2 _chemical_formula_sum 'Zr1 Ru1 Au2' _cell_volume 76.41661229 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.04782922 1 Au Au1 1 -0.00000000 0.00000000 6.33745378 1 Ru Ru2 1 0.00000000 0.00000000 12.67584887 1 Zr Zr3 1 -0.00000000 -0.00000000 19.39132983 1 [/CIF]
Au2RuZr
R3m
160
trigonal
3m
12,738.762374
false
[CIF] data_CuMoH5C2NO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60659054 _cell_length_b 6.79867323 _cell_length_c 9.20971947 _cell_angle_alpha 69.16754502 _cell_angle_beta 85.36973284 _cell_angle_gamma 65.69107782 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuMoH5C2NO4 _chemical_formula_sum 'Cu2 Mo2 H10 C4 N2 O8' _cell_volume 298.12043215 _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 Cu Cu0 1 5.37796469 5.13202240 1.05274922 1 Cu Cu1 1 3.77080133 4.32200568 7.52925435 1 Mo Mo2 1 2.96715310 7.70005551 7.55799657 1 Mo Mo3 1 6.18161292 1.75397257 1.02400701 1 H H4 1 3.99568195 5.96248256 2.90337226 1 H H5 1 5.15308407 3.49154552 5.67863131 1 H H6 1 4.57098710 3.07588444 3.17245163 1 H H7 1 4.57777892 6.37814365 5.40955194 1 H H8 1 3.07175516 3.83426144 2.57234228 1 H H9 1 6.07701086 5.61976665 6.00966130 1 H H10 1 6.27714791 6.34293298 3.58379195 1 H H11 1 2.87161811 3.11109510 4.99821163 1 H H12 1 6.46552918 4.58483132 3.76267612 1 H H13 1 2.68323684 4.86919677 4.81932745 1 C C14 1 3.90752592 3.94547689 3.27562599 1 C C15 1 5.24124010 5.50855120 5.30637759 1 C C16 1 5.75658923 5.41755733 3.86662376 1 C C17 1 3.39217679 4.03647075 4.71537982 1 N N18 1 4.66020876 5.16318826 2.91600343 1 N N19 1 4.48855726 4.29083982 5.66600014 1 O O20 1 3.61115360 8.40872697 6.09841067 1 O O21 1 5.53761242 1.04530111 2.48359290 1 O O22 1 3.37878650 4.66336157 0.26590121 1 O O23 1 5.76997952 4.79066651 8.31610237 1 O O24 1 2.19157458 0.88285476 0.74110135 1 O O25 1 6.95719144 8.57117333 7.84090222 1 O O26 1 6.42741914 3.51458332 1.33440090 1 O O27 1 2.72134688 5.93944476 7.24760268 1 [/CIF]
C4H10Cu2Mo2N2O8
P-1
2
triclinic
-1
2,969.620167
false
[CIF] data_BeTc2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86459356 _cell_length_b 4.86459356 _cell_length_c 4.86459356 _cell_angle_alpha 137.08737039 _cell_angle_beta 137.08737039 _cell_angle_gamma 62.30364867 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTc2Ru _chemical_formula_sum 'Be1 Tc2 Ru1' _cell_volume 52.72777722 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 0.00000000 0.00000000 4.16311687 1 Tc Tc2 1 -0.00000000 1.77942806 2.08155844 1 Tc Tc3 1 1.77942806 -0.00000000 2.08155844 1 [/CIF]
BeRuTc2
I4/mmm
139
tetragonal
4/mmm
9,696.425846
false
[CIF] data_CaWCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15787015 _cell_length_b 5.15787015 _cell_length_c 5.15787015 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaWCl _chemical_formula_sum 'Ca1 W1 Cl1' _cell_volume 97.02780705 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 3.64716496 3.64716496 3.64716496 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 5.47074744 5.47074744 5.47074744 1 [/CIF]
CaClW
F-43m
216
cubic
-43m
4,438.889132
false
[CIF] data_CaCr2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79988071 _cell_length_b 3.79988071 _cell_length_c 6.74573222 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCr2Pb _chemical_formula_sum 'Ca1 Cr2 Pb1' _cell_volume 97.40225764 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 1.89994036 1.89994036 1.83841049 1 Cr Cr2 1 1.89994036 1.89994036 4.90732173 1 Pb Pb3 1 0.00000000 0.00000000 3.37286611 1 [/CIF]
CaCr2Pb
P4/mmm
123
tetragonal
4/mmm
5,988.545893
false
[CIF] data_Tl2ReSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11224788 _cell_length_b 4.11224788 _cell_length_c 4.88068505 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2ReSi _chemical_formula_sum 'Tl2 Re1 Si1' _cell_volume 82.53522781 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.05612394 2.05612394 0.00000000 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 0.00000000 2.05612394 2.44034253 1 Tl Tl3 1 2.05612394 0.00000000 2.44034253 1 [/CIF]
ReSiTl2
P4/mmm
123
tetragonal
4/mmm
12,535.422798
false
[CIF] data_ZnTcMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21911626 _cell_length_b 4.21911626 _cell_length_c 4.21911626 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnTcMo _chemical_formula_sum 'Zn1 Tc1 Mo1' _cell_volume 53.10672026 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.98336572 2.98336572 2.98336572 1 Tc Tc1 1 4.47504858 4.47504858 4.47504858 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoTcZn
F-43m
216
cubic
-43m
8,137.369054
false
[CIF] data_MgCuWAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50486443 _cell_length_b 4.50486443 _cell_length_c 4.50486443 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCuWAu _chemical_formula_sum 'Mg1 Cu1 W1 Au1' _cell_volume 64.64429164 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.18542019 3.18542019 3.18542019 1 Cu Cu1 1 4.77813028 4.77813029 4.77813029 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.59271009 1.59271010 1.59271009 1 [/CIF]
AuCuMgW
F-43m
216
cubic
-43m
12,038.560289
false
[CIF] data_CuAgBiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67195341 _cell_length_b 4.67195341 _cell_length_c 4.67195341 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuAgBiRu _chemical_formula_sum 'Cu1 Ag1 Bi1 Ru1' _cell_volume 72.10751231 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.30356994 3.30356994 3.30356994 1 Bi Bi1 1 4.95535491 4.95535491 4.95535491 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 1.65178497 1.65178497 1.65178497 1 [/CIF]
AgBiCuRu
F-43m
216
cubic
-43m
11,087.482453
false
[CIF] data_Zr2VSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46853765 _cell_length_b 3.46853765 _cell_length_c 6.00127392 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2VSi _chemical_formula_sum 'Zr2 V1 Si1' _cell_volume 72.19984679 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 0.00000000 0.00000000 1 V V1 1 0.00000000 0.00000000 3.00063696 1 Zr Zr2 1 1.73426883 1.73426883 4.53652721 1 Zr Zr3 1 1.73426883 1.73426883 1.46474671 1 [/CIF]
SiVZr2
P4/mmm
123
tetragonal
4/mmm
6,013.717088
false
[CIF] data_La2YRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33454031 _cell_length_b 5.33454031 _cell_length_c 5.33454031 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2YRh _chemical_formula_sum 'La2 Y1 Rh1' _cell_volume 107.34356266 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88604481 1.88604481 1.88604481 1 La La1 1 5.65813444 5.65813444 5.65813444 1 Rh Rh2 1 3.77208963 3.77208963 3.77208963 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2RhY
Fm-3m
225
cubic
m-3m
7,264.768746
false
[CIF] data_Ba2EuHo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43443097 _cell_length_b 6.43443097 _cell_length_c 6.43443097 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2EuHo _chemical_formula_sum 'Ba2 Eu1 Ho1' _cell_volume 188.37160592 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.82474466 6.82474466 6.82474466 1 Ba Ba1 1 2.27491489 2.27491489 2.27491489 1 Eu Eu2 1 0.00000000 0.00000000 0.00000000 1 Ho Ho3 1 4.54982977 4.54982977 4.54982977 1 [/CIF]
Ba2EuHo
Fm-3m
225
cubic
m-3m
5,214.634607
false
[CIF] data_Ba2ZrAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85445687 _cell_length_b 3.85445687 _cell_length_c 9.50031230 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2ZrAg _chemical_formula_sum 'Ba2 Zr1 Ag1' _cell_volume 141.14459817 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.75015615 1 Ba Ba1 1 1.92722843 1.92722843 6.92149252 1 Ba Ba2 1 1.92722843 1.92722843 2.57881978 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgBa2Zr
P4/mmm
123
tetragonal
4/mmm
5,573.554223
false
[CIF] data_Ni2SbPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30431883 _cell_length_b 3.30431883 _cell_length_c 5.43207898 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2SbPt _chemical_formula_sum 'Ni2 Sb1 Pt1' _cell_volume 59.31027900 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65215942 1.65215942 1.35219216 1 Ni Ni1 1 1.65215942 1.65215942 4.07988682 1 Pt Pt2 1 0.00000000 0.00000000 2.71603949 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ni2PtSb
P4/mmm
123
tetragonal
4/mmm
12,157.685768
false
[CIF] data_MgB3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90748846 _cell_length_b 3.90748846 _cell_length_c 3.90748846 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgB3S _chemical_formula_sum 'Mg1 B3 S1' _cell_volume 59.66135495 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S S0 1 1.95374423 1.95374423 1.95374423 1 B B1 1 1.95374423 0.00000000 1.95374423 1 B B2 1 1.95374423 1.95374423 0.00000000 1 B B3 1 0.00000000 1.95374423 1.95374423 1 Mg Mg4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B3MgS
Pm-3m
221
cubic
m-3m
2,471.630939
false
[CIF] data_NbGeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48129897 _cell_length_b 4.48129897 _cell_length_c 4.48129897 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbGeP2 _chemical_formula_sum 'Nb1 Ge1 P2' _cell_volume 63.63510406 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 3.16875689 3.16875689 3.16875689 1 Nb Nb1 1 1.58437845 1.58437845 1.58437844 1 P P2 1 0.00000000 0.00000000 0.00000000 1 P P3 1 4.75313534 4.75313534 4.75313533 1 [/CIF]
GeNbP2
F-43m
216
cubic
-43m
5,936.385594
false
[CIF] data_Nb3Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42842775 _cell_length_b 5.42842775 _cell_length_c 5.42842775 _cell_angle_alpha 138.53035018 _cell_angle_beta 138.53035018 _cell_angle_gamma 60.09170596 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Os _chemical_formula_sum 'Nb3 Os1' _cell_volume 69.42643130 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 -0.00000000 1.92189875 2.34949134 1 Nb Nb1 1 1.92189875 -0.00000000 2.34949134 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 0.00000000 -0.00000000 4.69898268 1 [/CIF]
Nb3Os
I4/mmm
139
tetragonal
4/mmm
11,216.309879
false
[CIF] data_InIrOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16669875 _cell_length_b 4.47929072 _cell_length_c 4.50252370 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InIrOs2 _chemical_formula_sum 'In1 Ir1 Os2' _cell_volume 63.86633704 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 1.58334938 2.23964536 0.00000000 1 Os Os2 1 1.58334938 0.00000000 2.25126185 1 Os Os3 1 0.00000000 2.23964536 2.25126185 1 [/CIF]
InIrOs2
Pmmm
47
orthorhombic
mmm
17,875.023971
false
[CIF] data_KLa2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09410089 _cell_length_b 4.09410089 _cell_length_c 9.76988790 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLa2Ir _chemical_formula_sum 'K1 La2 Ir1' _cell_volume 163.75955971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04705044 2.04705044 3.53951383 1 K K1 1 0.00000000 0.00000000 6.96788933 1 La La2 1 2.04705044 2.04705044 0.86386658 1 La La3 1 0.00000000 0.00000000 3.28356211 1 [/CIF]
IrKLa2
P4mm
99
tetragonal
4mm
5,162.593334
false
[CIF] data_Zn2GeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57975318 _cell_length_b 3.57975318 _cell_length_c 7.26193836 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 98.78018383 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2GeBr _chemical_formula_sum 'Zn2 Ge1 Br1' _cell_volume 91.96853619 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.33008106 0.00000000 4.22967925 1 Ge Ge1 1 0.00000000 0.00000000 0.90672315 1 Zn Zn2 1 2.33008106 0.00000000 0.14937096 1 Zn Zn3 1 0.00000000 0.00000000 5.60713418 1 [/CIF]
BrGeZn2
Cmm2
35
orthorhombic
mm2
5,115.19895
false
[CIF] data_Ga4SnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28534237 _cell_length_b 5.28534237 _cell_length_c 5.28534237 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga4SnW _chemical_formula_sum 'Ga4 Sn1 W1' _cell_volume 104.40093227 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.81155869 2.81155869 4.66304417 1 Ga Ga1 1 2.81155869 4.66304417 2.81155869 1 Ga Ga2 1 4.66304417 2.81155869 2.81155869 1 Ga Ga3 1 4.66304417 4.66304417 4.66304417 1 Sn Sn4 1 0.00000000 0.00000000 0.00000000 1 W W5 1 1.86865072 1.86865072 1.86865072 1 [/CIF]
Ga4SnW
F-43m
216
cubic
-43m
9,248.070252
false
[CIF] data_Sc2SiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89734729 _cell_length_b 4.89734729 _cell_length_c 3.73652362 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 101.91390598 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2SiBi _chemical_formula_sum 'Sc2 Si1 Bi1' _cell_volume 87.68637757 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.08485910 0.00000000 0.00000000 1 Sc Sc1 1 1.54242955 -1.90181852 1.86826181 1 Sc Sc2 1 1.54242955 1.90181853 1.86826181 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiSc2Si
Cmmm
65
orthorhombic
mmm
6,192.059698
false
[CIF] data_NaTiGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44989755 _cell_length_b 5.44989755 _cell_length_c 4.89491561 _cell_angle_alpha 103.84044760 _cell_angle_beta 103.84044760 _cell_angle_gamma 30.94399957 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTiGe2 _chemical_formula_sum 'Na1 Ti1 Ge2' _cell_volume 72.41785102 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.34477639 -0.00000000 0.37524612 1 Ge Ge1 1 1.92324200 -0.00000000 3.24785216 1 Na Na2 1 4.67342310 0.00000000 2.72012987 1 Ti Ti3 1 7.49807053 -0.00000000 0.76936736 1 [/CIF]
Ge2NaTi
Cm
8
monoclinic
m
4,956.009383
false
[CIF] data_PaO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83781224 _cell_length_b 3.83781224 _cell_length_c 3.83781224 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PaO _chemical_formula_sum 'Pa1 O1' _cell_volume 39.97018636 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 0.00000000 0.00000000 0.00000000 1 Pa Pa1 1 4.07061459 4.07061459 4.07061459 1 [/CIF]
OPa
F-43m
216
cubic
-43m
10,262.942724
false
[CIF] data_YCdNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53576060 _cell_length_b 4.53576060 _cell_length_c 3.36999398 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCdNi2 _chemical_formula_sum 'Y1 Cd1 Ni2' _cell_volume 69.33130477 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.26788030 2.26788030 0.00000000 1 Ni Ni1 1 2.26788030 0.00000000 1.68499699 1 Ni Ni2 1 0.00000000 2.26788030 1.68499699 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdNi2Y
P4/mmm
123
tetragonal
4/mmm
7,633.202104
false
[CIF] data_ReSi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33481133 _cell_length_b 4.33481133 _cell_length_c 4.33481133 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSi2Ir _chemical_formula_sum 'Re1 Si2 Ir1' _cell_volume 57.59643500 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.59776173 4.59776174 4.59776174 1 Re Re1 1 3.06517449 3.06517449 3.06517449 1 Si Si2 1 1.53258724 1.53258724 1.53258724 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrReSi2
F-43m
216
cubic
-43m
12,529.629232
false
[CIF] data_CuNiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64287328 _cell_length_b 3.64287328 _cell_length_c 2.52676889 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.50749474 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuNiB2 _chemical_formula_sum 'Cu1 Ni1 B2' _cell_volume 33.49944539 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.25946116 1.31582257 1.26338444 1 B B1 1 1.25946116 -1.31582256 1.26338444 1 Cu Cu2 1 2.51892232 0.00000000 0.00000000 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2CuNi
Cmmm
65
orthorhombic
mmm
7,131.087459
false
[CIF] data_Hf2HgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44252015 _cell_length_b 4.50157058 _cell_length_c 5.57834816 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2HgSe _chemical_formula_sum 'Hf2 Hg1 Se1' _cell_volume 86.44625257 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72126008 2.25078529 0.00000000 1 Hf Hf1 1 0.00000000 0.00000000 2.78917408 1 Hg Hg2 1 1.72126008 2.25078529 2.78917408 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2HgSe
Pmmm
47
orthorhombic
mmm
12,227.053612
false
[CIF] data_NaLiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29245537 _cell_length_b 4.29245537 _cell_length_c 4.29245537 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiRh _chemical_formula_sum 'Na1 Li1 Rh1' _cell_volume 55.92453313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 4.55283645 4.55283645 4.55283645 1 Rh Rh2 1 1.51761215 1.51761215 1.51761215 1 [/CIF]
LiNaRh
F-43m
216
cubic
-43m
3,944.240609
false
[CIF] data_Zr2BPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35481420 _cell_length_b 4.35481420 _cell_length_c 3.52065796 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2BPd _chemical_formula_sum 'Zr2 B1 Pd1' _cell_volume 66.76718946 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 2.17740710 2.17740710 0.00000000 1 Zr Zr2 1 2.17740710 0.00000000 1.76032898 1 Zr Zr3 1 0.00000000 2.17740710 1.76032898 1 [/CIF]
BPdZr2
P4/mmm
123
tetragonal
4/mmm
7,453.192068
false
[CIF] data_KLa2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85856550 _cell_length_b 3.88679697 _cell_length_c 9.68172955 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.46991867 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLa2Rh _chemical_formula_sum 'K1 La2 Rh1' _cell_volume 143.22257137 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 1.77885986 1.94339848 3.24614544 1 La La2 1 0.48677295 1.94339848 6.30364265 1 Rh Rh3 1 -0.79646634 0.00000000 4.77489404 1 [/CIF]
KLa2Rh
P2/m
10
monoclinic
2/m
4,867.380678
false
[CIF] data_MnNbOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.07486380 _cell_length_b 9.07486380 _cell_length_c 9.07486380 _cell_angle_alpha 17.35081668 _cell_angle_beta 17.35081668 _cell_angle_gamma 17.35081668 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNbOs2 _chemical_formula_sum 'Mn1 Nb1 Os2' _cell_volume 58.00091256 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 -0.00000000 -0.00000000 -0.00000000 1 Nb Nb1 1 -0.00000000 -0.00000000 13.40423742 1 Os Os2 1 0.00000000 0.00000000 6.91614256 1 Os Os3 1 0.00000000 0.00000000 19.89233228 1 [/CIF]
MnNbOs2
R-3m
166
trigonal
-3m
15,125.109206
false
[CIF] data_LiNiTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37902426 _cell_length_b 5.54612820 _cell_length_c 4.30994152 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.13367511 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNiTe2 _chemical_formula_sum 'Li1 Ni1 Te2' _cell_volume 80.77024661 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.23226523 0.00000000 2.58666388 1 Ni Ni1 1 2.97234159 2.77306410 0.65713099 1 Te Te2 1 2.93589734 0.00000000 0.43977636 1 Te Te3 1 1.29197345 2.77306410 2.78132345 1 [/CIF]
LiNiTe2
Pm
6
monoclinic
m
6,595.969153
false
[CIF] data_KVIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49886175 _cell_length_b 5.30947957 _cell_length_c 5.41597504 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KVIn2 _chemical_formula_sum 'K1 V1 In2' _cell_volume 100.61329937 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.74943088 2.65473978 0.00000000 1 In In1 1 1.74943088 0.00000000 2.70798752 1 K K2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 0.00000000 2.65473978 2.70798752 1 [/CIF]
In2KV
Pmmm
47
orthorhombic
mmm
5,275.983969
false
[CIF] data_VInFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.12383442 _cell_length_b 8.12383442 _cell_length_c 8.12383442 _cell_angle_alpha 20.20667321 _cell_angle_beta 20.20667321 _cell_angle_gamma 20.20667321 _symmetry_Int_Tables_number 1 _chemical_formula_structural VInFe2 _chemical_formula_sum 'V1 In1 Fe2' _cell_volume 55.96986982 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 -0.00000000 6.23113937 1 Fe Fe1 1 -0.00000000 0.00000000 17.63512769 1 In In2 1 -0.00000000 0.00000000 11.93313353 1 V V3 1 0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Fe2InV
R-3m
166
trigonal
-3m
8,231.495537
false
[CIF] data_Mg2ZnSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22893652 _cell_length_b 4.22893652 _cell_length_c 11.95938040 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2ZnSe _chemical_formula_sum 'Mg4 Zn2 Se2' _cell_volume 213.88041205 _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 Mg Mg0 1 2.11446826 0.00000000 7.30208792 1 Mg Mg1 1 0.00000000 2.11446826 4.65729248 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Mg Mg3 1 2.11446826 2.11446826 0.00000000 1 Se Se4 1 2.11446826 0.00000000 10.46008096 1 Se Se5 1 0.00000000 2.11446826 1.49929944 1 Zn Zn6 1 2.11446826 0.00000000 4.45802707 1 Zn Zn7 1 0.00000000 2.11446826 7.50135333 1 [/CIF]
Mg4Se2Zn2
P4/nmm
129
tetragonal
4/mmm
2,996.076264
false
[CIF] data_Cd2PdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.72781559 _cell_length_b 9.72781559 _cell_length_c 9.72781559 _cell_angle_alpha 17.28767906 _cell_angle_beta 17.28767906 _cell_angle_gamma 17.28767906 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2PdW _chemical_formula_sum 'Cd2 Pd1 W1' _cell_volume 70.93607009 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.27118637 1 Cd Cd1 1 0.00000000 0.00000000 21.46944411 1 Pd Pd2 1 -0.00000000 -0.00000000 -0.00000000 1 W W3 1 0.00000000 0.00000000 14.37031524 1 [/CIF]
Cd2PdW
R-3m
166
trigonal
-3m
12,057.529857
false
[CIF] data_LaEr2Lu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66893870 _cell_length_b 5.66893870 _cell_length_c 5.66893870 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaEr2Lu _chemical_formula_sum 'La1 Er2 Lu1' _cell_volume 128.82207366 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.01281750 6.01281750 6.01281750 1 Er Er1 1 2.00427250 2.00427250 2.00427250 1 La La2 1 0.00000000 0.00000000 0.00000000 1 Lu Lu3 1 4.00854500 4.00854500 4.00854500 1 [/CIF]
Er2LaLu
Fm-3m
225
cubic
m-3m
8,357.864015
false
[CIF] data_LaGe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56929159 _cell_length_b 3.56929159 _cell_length_c 6.64097034 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGe2Pt _chemical_formula_sum 'La1 Ge2 Pt1' _cell_volume 84.60491588 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.59936971 1 Ge Ge1 1 1.78464580 1.78464580 1.28572599 1 La La2 1 0.00000000 0.00000000 3.43212812 1 Pt Pt3 1 1.78464580 1.78464580 5.28520197 1 [/CIF]
Ge2LaPt
P4mm
99
tetragonal
4mm
9,406.614
false
[CIF] data_NbNiAgIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42569064 _cell_length_b 4.42569064 _cell_length_c 4.42569064 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbNiAgIr _chemical_formula_sum 'Nb1 Ni1 Ag1 Ir1' _cell_volume 61.29543904 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.69415379 4.69415379 4.69415379 1 Ir Ir1 1 3.12943586 3.12943586 3.12943586 1 Nb Nb2 1 1.56471793 1.56471793 1.56471793 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgIrNbNi
F-43m
216
cubic
-43m
12,236.482304
false
[CIF] data_NbTeBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17683619 _cell_length_b 3.17683619 _cell_length_c 10.33076189 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTeBr2 _chemical_formula_sum 'Nb1 Te1 Br2' _cell_volume 104.26102642 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.58841810 1.58841810 8.69963087 1 Br Br1 1 1.58841810 1.58841810 1.63113102 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 5.16538094 1 [/CIF]
Br2NbTe
P4/mmm
123
tetragonal
4/mmm
6,057.218826
false
[CIF] data_LiSb2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67949732 _cell_length_b 3.67949732 _cell_length_c 9.88718030 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.59573594 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSb2Br _chemical_formula_sum 'Li1 Sb2 Br1' _cell_volume 133.80766074 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.56531528 0.00000000 3.77333459 1 Li Li1 1 0.00000000 0.00000000 3.79442118 1 Sb Sb2 1 2.56531528 0.00000000 9.34583820 1 Sb Sb3 1 0.00000000 0.00000000 7.80435688 1 [/CIF]
BrLiSb2
Cmm2
35
orthorhombic
mm2
4,099.795077
false
[CIF] data_NiAsBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68884127 _cell_length_b 6.68884127 _cell_length_c 4.45112094 _cell_angle_alpha 101.79509935 _cell_angle_beta 101.79509935 _cell_angle_gamma 28.95091348 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiAsBr2 _chemical_formula_sum 'Ni1 As1 Br2' _cell_volume 94.22586071 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.00665531 -0.00000000 2.17539947 1 Br Br1 1 8.23952643 -0.00000000 0.79998562 1 Br Br2 1 3.77378419 -0.00000000 3.55081331 1 Ni Ni3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
AsBr2Ni
C2/m
12
monoclinic
2/m
5,170.983325
false
[CIF] data_ZnPBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.75800216 _cell_length_b 11.75800216 _cell_length_c 11.75800216 _cell_angle_alpha 17.13684418 _cell_angle_beta 17.13684418 _cell_angle_gamma 17.13684418 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnPBr2 _chemical_formula_sum 'Zn1 P1 Br2' _cell_volume 123.13560016 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 27.35924691 1 Br Br1 1 0.00000000 -0.00000000 7.38882739 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 -0.00000000 0.00000000 17.37403715 1 [/CIF]
Br2PZn
R-3m
166
trigonal
-3m
3,454.456816
false
[CIF] data_ZnInIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13783822 _cell_length_b 5.13783822 _cell_length_c 5.13783822 _cell_angle_alpha 142.41128443 _cell_angle_beta 142.41128443 _cell_angle_gamma 54.20975391 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnInIr _chemical_formula_sum 'Zn1 In1 Ir1' _cell_volume 50.12484506 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 -0.00000000 0.00000000 0.02116328 1 Ir Ir1 1 0.00000000 -0.00000000 6.23285460 1 Zn Zn2 1 0.00000000 -0.00000000 2.89312237 1 [/CIF]
InIrZn
I4mm
107
tetragonal
4mm
12,337.387892
false
[CIF] data_NaCoRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.66287469 _cell_length_b 2.66287469 _cell_length_c 9.51246203 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.42302175 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCoRu2 _chemical_formula_sum 'Na1 Co1 Ru2' _cell_volume 59.87238599 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.38295715 0.00000000 4.98432901 1 Na Na1 1 0.00000000 0.00000000 2.46201029 1 Ru Ru2 1 1.38295715 0.00000000 9.28996098 1 Ru Ru3 1 0.00000000 0.00000000 7.04485471 1 [/CIF]
CoNaRu2
Cmm2
35
orthorhombic
mm2
7,878.384029
false
[CIF] data_BePb2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20032682 _cell_length_b 5.20032682 _cell_length_c 5.20032682 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BePb2Cl _chemical_formula_sum 'Be1 Pb2 Cl1' _cell_volume 99.44361812 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Cl Cl1 1 1.83859318 1.83859318 1.83859318 1 Pb Pb2 1 3.67718636 3.67718636 3.67718636 1 Pb Pb3 1 5.51577954 5.51577954 5.51577954 1 [/CIF]
BeClPb2
F-43m
216
cubic
-43m
7,662.267075
false
[CIF] data_Nb2Au3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.66977405 _cell_length_b 7.66977405 _cell_length_c 7.66977405 _cell_angle_alpha 157.85698369 _cell_angle_beta 148.55654178 _cell_angle_gamma 38.79421008 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2Au3 _chemical_formula_sum 'Nb2 Au3' _cell_volume 88.57715870 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.59142962 1 Au Au1 1 -0.00000000 -0.00000000 2.87743713 1 Au Au2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 0.00000000 0.00000000 8.65831731 1 Nb Nb4 1 0.00000000 -0.00000000 5.81054945 1 [/CIF]
Au3Nb2
Immm
71
orthorhombic
mmm
14,560.880186
false
[CIF] data_AlMoPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25199997 _cell_length_b 3.46748945 _cell_length_c 8.43527911 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlMoPb2 _chemical_formula_sum 'Al1 Mo1 Pb2' _cell_volume 95.11853190 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 4.77407232 1 Mo Mo1 1 1.62599998 1.73374472 5.86650094 1 Pb Pb2 1 0.00000000 0.00000000 7.84820545 1 Pb Pb3 1 1.62599998 1.73374472 2.59941907 1 [/CIF]
AlMoPb2
Pmm2
25
orthorhombic
mm2
9,380.681126
false
[CIF] data_Sr2MoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19704422 _cell_length_b 3.19704422 _cell_length_c 9.39131157 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2MoRh _chemical_formula_sum 'Sr2 Mo1 Rh1' _cell_volume 95.98945716 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 0.00000000 0.00000000 4.69565579 1 Sr Sr2 1 1.59852211 1.59852211 6.77913920 1 Sr Sr3 1 1.59852211 1.59852211 2.61217237 1 [/CIF]
MoRhSr2
P4/mmm
123
tetragonal
4/mmm
6,471.719043
false
[CIF] data_BaCdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35382407 _cell_length_b 6.35382407 _cell_length_c 6.35382407 _cell_angle_alpha 143.93521860 _cell_angle_beta 143.93521860 _cell_angle_gamma 51.92417418 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCdAu _chemical_formula_sum 'Ba1 Cd1 Au1' _cell_volume 88.39756531 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.29709423 1 Ba Ba1 1 0.00000000 0.00000000 3.87416421 1 Cd Cd2 1 -0.00000000 -0.00000000 7.25398357 1 [/CIF]
AuBaCd
I4mm
107
tetragonal
4mm
8,391.306939
false
[CIF] data_Mo2PW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15886851 _cell_length_b 5.15886851 _cell_length_c 5.15886851 _cell_angle_alpha 144.48123290 _cell_angle_beta 131.73356324 _cell_angle_gamma 61.34118428 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo2PW _chemical_formula_sum 'Mo2 P1 W1' _cell_volume 58.90910415 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.10925305 2.31653003 1 Mo Mo1 1 1.57355948 -0.00000000 2.12068604 1 P P2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 4.43721607 1 [/CIF]
Mo2PW
Immm
71
orthorhombic
mmm
11,465.105569
false
[CIF] data_Tc4AgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22965685 _cell_length_b 5.22965685 _cell_length_c 5.22965685 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc4AgSn _chemical_formula_sum 'Tc4 Ag1 Sn1' _cell_volume 101.13572235 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 5.54688873 5.54688873 5.54688873 1 Tc Tc2 1 4.62560702 2.77024462 4.62560702 1 Tc Tc3 1 2.77024462 4.62560702 4.62560702 1 Tc Tc4 1 2.77024462 2.77024462 2.77024462 1 Tc Tc5 1 4.62560702 4.62560702 2.77024462 1 [/CIF]
AgSnTc4
F-43m
216
cubic
-43m
10,215.899634
false
[CIF] data_CrGaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39470915 _cell_length_b 4.39470915 _cell_length_c 4.39470915 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGaAs _chemical_formula_sum 'Cr1 Ga1 As1' _cell_volume 60.01715649 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10752864 3.10752864 3.10752864 1 Cr Cr1 1 -0.00000000 -0.00000000 -0.00000000 1 Ga Ga2 1 4.66129296 4.66129296 4.66129296 1 [/CIF]
AsCrGa
F-43m
216
cubic
-43m
5,440.603713
false
[CIF] data_KCrIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70609628 _cell_length_b 3.95514907 _cell_length_c 7.56857925 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCrIr2 _chemical_formula_sum 'K1 Cr1 Ir2' _cell_volume 81.00661107 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 1.35304814 1.97757454 6.51703703 1 Ir Ir1 1 0.00000000 0.00000000 7.37984628 1 Ir Ir2 1 1.35304814 1.97757454 1.29997842 1 K K3 1 0.00000000 0.00000000 3.72458640 1 [/CIF]
CrIr2K
Pmm2
25
orthorhombic
mm2
9,747.765954
false
[CIF] data_CaMgV4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30879277 _cell_length_b 5.30879277 _cell_length_c 5.30879277 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMgV4 _chemical_formula_sum 'Ca1 Mg1 V4' _cell_volume 105.79674877 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 5.63082506 5.63082506 5.63082506 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 4.65504219 4.65504219 2.85272455 1 V V3 1 4.65504219 2.85272455 4.65504219 1 V V4 1 2.85272455 4.65504219 4.65504219 1 V V5 1 2.85272455 2.85272455 2.85272455 1 [/CIF]
CaMgV4
F-43m
216
cubic
-43m
4,208.748334
false
[CIF] data_ReSiSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97271573 _cell_length_b 5.97271573 _cell_length_c 3.16396846 _cell_angle_alpha 105.08158080 _cell_angle_beta 105.08158080 _cell_angle_gamma 128.95917614 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSiSe2 _chemical_formula_sum 'Re1 Si1 Se2' _cell_volume 69.95297500 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.57324077 0.00000000 0.00000000 1 Se Se1 1 1.28662038 -2.69498447 0.00000000 1 Se Se2 1 1.28662038 2.69498447 0.00000000 1 Si Si3 1 -0.00000000 0.00000000 0.00000000 1 [/CIF]
ReSe2Si
C2/m
12
monoclinic
2/m
8,835.555562
false
[CIF] data_Ga(Ag3Se2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.32240000 _cell_length_b 11.32240000 _cell_length_c 11.32240000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga(Ag3Se2)3 _chemical_formula_sum 'Ga4 Ag36 Se24' _cell_volume 1451.49478890 _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 Ga Ga0 1 5.75670444 5.75670444 5.75670444 1 Ga Ga1 1 11.22689556 5.56569556 0.09550444 1 Ga Ga2 1 0.09550444 11.22689556 5.56569556 1 Ga Ga3 1 5.56569556 0.09550444 11.22689556 1 Ag Ag4 1 9.33685865 0.79297561 1.52279487 1 Ag Ag5 1 1.52279487 9.33685865 0.79297561 1 Ag Ag6 1 0.79297561 1.52279487 9.33685865 1 Ag Ag7 1 4.86822439 9.79960513 3.67565865 1 Ag Ag8 1 7.18399487 7.64674135 10.52942439 1 Ag Ag9 1 10.52942439 7.18399487 7.64674135 1 Ag Ag10 1 4.13840513 1.98554135 6.45417561 1 Ag Ag11 1 9.79960513 3.67565865 4.86822439 1 Ag Ag12 1 6.45417561 4.13840513 1.98554135 1 Ag Ag13 1 3.67565865 4.86822439 9.79960513 1 Ag Ag14 1 1.98554135 6.45417561 4.13840513 1 Ag Ag15 1 7.64674135 10.52942439 7.18399487 1 Ag Ag16 1 2.56970926 2.63074832 0.34324988 1 Ag Ag17 1 0.34324988 2.56970926 2.63074832 1 Ag Ag18 1 2.63074832 0.34324988 2.56970926 1 Ag Ag19 1 3.03045168 10.97915012 8.23090926 1 Ag Ag20 1 6.00444988 3.09149074 8.69165168 1 Ag Ag21 1 8.69165168 6.00444988 3.09149074 1 Ag Ag22 1 5.31795012 8.75269074 8.29194832 1 Ag Ag23 1 10.97915012 8.23090926 3.03045168 1 Ag Ag24 1 8.29194832 5.31795012 8.75269074 1 Ag Ag25 1 8.23090926 3.03045168 10.97915012 1 Ag Ag26 1 8.75269074 8.29194832 5.31795012 1 Ag Ag27 1 3.09149074 8.69165168 6.00444988 1 Ag Ag28 1 9.39499917 0.42696770 9.76909127 1 Ag Ag29 1 9.76909127 9.39499917 0.42696770 1 Ag Ag30 1 0.42696770 9.76909127 9.39499917 1 Ag Ag31 1 5.23423230 1.55330873 3.73379917 1 Ag Ag32 1 4.10789127 7.58860083 10.89543230 1 Ag Ag33 1 10.89543230 4.10789127 7.58860083 1 Ag Ag34 1 7.21450873 1.92740083 6.08816770 1 Ag Ag35 1 1.55330873 3.73379917 5.23423230 1 Ag Ag36 1 6.08816770 7.21450873 1.92740083 1 Ag Ag37 1 3.73379917 5.23423230 1.55330873 1 Ag Ag38 1 1.92740083 6.08816770 7.21450873 1 Ag Ag39 1 7.58860083 10.89543230 4.10789127 1 Se Se40 1 0.24391846 0.24391846 0.24391846 1 Se Se41 1 5.41728154 11.07848154 5.90511846 1 Se Se42 1 5.90511846 5.41728154 11.07848154 1 Se Se43 1 11.07848154 5.90511846 5.41728154 1 Se Se44 1 7.14455895 7.14455895 7.14455895 1 Se Se45 1 9.83904105 4.17784105 1.48335895 1 Se Se46 1 1.48335895 9.83904105 4.17784105 1 Se Se47 1 4.17784105 1.48335895 9.83904105 1 Se Se48 1 2.96847286 2.96847286 2.96847286 1 Se Se49 1 2.69272714 8.35392714 8.62967286 1 Se Se50 1 8.62967286 2.69272714 8.35392714 1 Se Se51 1 8.35392714 8.62967286 2.69272714 1 Se Se52 1 4.51673181 7.09846546 4.14745173 1 Se Se53 1 4.14745173 4.51673181 7.09846546 1 Se Se54 1 7.09846546 4.14745173 4.51673181 1 Se Se55 1 9.88513454 7.17494827 10.17793181 1 Se Se56 1 9.80865173 1.14446819 4.22393454 1 Se Se57 1 4.22393454 9.80865173 1.14446819 1 Se Se58 1 1.51374827 6.80566819 1.43726546 1 Se Se59 1 7.17494827 10.17793181 9.88513454 1 Se Se60 1 1.43726546 1.51374827 6.80566819 1 Se Se61 1 10.17793181 9.88513454 7.17494827 1 Se Se62 1 6.80566819 1.43726546 1.51374827 1 Se Se63 1 1.14446819 4.22393454 9.80865173 1 [/CIF]
Ag36Ga4Se24
P2_13
198
cubic
23
6,929.543293
true
[CIF] data_LiTcAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68150173 _cell_length_b 4.80135092 _cell_length_c 5.02405583 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTcAg2 _chemical_formula_sum 'Li1 Tc1 Ag2' _cell_volume 64.68386878 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.34075087 0.00000000 0.32562378 1 Ag Ag1 1 1.34075087 2.40067546 3.47664849 1 Li Li2 1 0.00000000 0.00000000 2.76907599 1 Tc Tc3 1 0.00000000 2.40067546 0.96473548 1 [/CIF]
Ag2LiTc
Pmm2
25
orthorhombic
mm2
8,255.569019
false
[CIF] data_BaInPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11124899 _cell_length_b 5.11124899 _cell_length_c 5.11124899 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaInPt2 _chemical_formula_sum 'Ba1 In1 Pt2' _cell_volume 94.42046067 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.61419882 3.61419882 3.61419882 1 In In1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.80709941 1.80709941 1.80709941 1 Pt Pt3 1 5.42129823 5.42129823 5.42129823 1 [/CIF]
BaInPt2
Fm-3m
225
cubic
m-3m
11,296.13033
false
[CIF] data_Hf2Sb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10406451 _cell_length_b 5.10406451 _cell_length_c 5.75841144 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Sb3 _chemical_formula_sum 'Hf2 Sb3' _cell_volume 129.91689548 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.55203226 1.47341651 0.67513815 1 Hf Hf1 1 0.00000000 2.94683302 5.08327329 1 Sb Sb2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 2.55203226 1.47341651 3.59584855 1 Sb Sb4 1 0.00000000 2.94683302 2.16256289 1 [/CIF]
Hf2Sb3
P-3m1
164
trigonal
-3m
9,231.601024
false
[CIF] data_Hf2InW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45470226 _cell_length_b 3.45470226 _cell_length_c 6.78268520 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2InW _chemical_formula_sum 'Hf2 In1 W1' _cell_volume 80.95112882 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72735113 1.72735113 4.91388905 1 Hf Hf1 1 1.72735113 1.72735113 1.86879615 1 In In2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 3.39134260 1 [/CIF]
Hf2InW
P4/mmm
123
tetragonal
4/mmm
13,449.009649
false
[CIF] data_GaSbRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42082730 _cell_length_b 4.42082730 _cell_length_c 3.36238658 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSbRh _chemical_formula_sum 'Ga1 Sb1 Rh1' _cell_volume 56.90957925 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 2.21041365 1.27618292 0.00000000 1 Sb Sb2 1 -0.00000000 2.55236583 1.68119329 1 [/CIF]
GaRhSb
P-6m2
187
hexagonal
-6m2
8,589.829896
false
[CIF] data_MgBe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96232447 _cell_length_b 3.96232447 _cell_length_c 3.96232447 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBe3 _chemical_formula_sum 'Mg1 Be3' _cell_volume 43.98809059 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.20267975 4.20267975 4.20267975 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Be Be2 1 1.40089325 1.40089325 1.40089325 1 Mg Mg3 1 2.80178650 2.80178650 2.80178650 1 [/CIF]
Be3Mg
Fm-3m
225
cubic
m-3m
1,938.13011
false
[CIF] data_YVSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22866640 _cell_length_b 3.22866640 _cell_length_c 6.45977717 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YVSi2 _chemical_formula_sum 'Y1 V1 Si2' _cell_volume 67.33856938 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 1.61433320 1.61433320 5.24575946 1 Si Si1 1 1.61433320 1.61433320 1.21401771 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 0.00000000 0.00000000 3.22988859 1 [/CIF]
Si2VY
P4/mmm
123
tetragonal
4/mmm
4,833.725025
false
[CIF] data_Be4Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03659337 _cell_length_b 4.03659337 _cell_length_c 4.03659337 _cell_angle_alpha 97.61023782 _cell_angle_beta 97.61023782 _cell_angle_gamma 137.31845527 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be4Co _chemical_formula_sum 'Be4 Co1' _cell_volume 41.53141315 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 2.12936181 1.08557422 0.00000000 1 Be Be1 1 1.08557422 3.18781849 -0.00000000 1 Be Be2 1 0.52922834 1.57301593 1.46897341 1 Be Be3 1 1.57301593 -0.52922834 1.46897341 1 Co Co4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be4Co
I4/m
87
tetragonal
4/m
3,797.636097
false
[CIF] data_KScTiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18800721 _cell_length_b 5.18800721 _cell_length_c 5.18800721 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KScTiBi _chemical_formula_sum 'K1 Sc1 Ti1 Bi1' _cell_volume 98.73854323 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.66847508 3.66847508 3.66847508 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 5.50271262 5.50271262 5.50271262 1 Ti Ti3 1 1.83423754 1.83423754 1.83423754 1 [/CIF]
BiKScTi
F-43m
216
cubic
-43m
5,733.125344
false