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_Hf5Ti3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11878459 _cell_length_b 4.91020011 _cell_length_c 10.75079524 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5Ti3 _chemical_formula_sum 'Hf5 Ti3' _cell_volume 164.63613489 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55939230 2.45510005 10.74327302 1 Hf Hf1 1 0.00000000 2.45510005 8.05696160 1 Hf Hf2 1 1.55939230 2.45510005 5.36755287 1 Hf Hf3 1 0.00000000 0.00000000 4.49749144 1 Hf Hf4 1 1.55939230 0.00000000 1.79574113 1 Ti Ti5 1 0.00000000 2.45510005 2.69730228 1 Ti Ti6 1 0.00000000 0.00000000 9.80893420 1 Ti Ti7 1 1.55939230 0.00000000 7.20312107 1 [/CIF]
Hf5Ti3
Pmm2
25
orthorhombic
mm2
10,449.730016
false
[CIF] data_ZrSc2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93730043 _cell_length_b 2.93730043 _cell_length_c 10.04145242 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.95503201 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc2W _chemical_formula_sum 'Zr1 Sc2 W1' _cell_volume 83.29760254 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 1.76863194 -0.00000000 2.78296374 1 Sc Sc1 1 1.76863194 -0.00000000 7.25848868 1 W W2 1 0.00000000 0.00000000 5.02072621 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sc2WZr
Cmmm
65
orthorhombic
mmm
7,275.79901
false
[CIF] data_RhWBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23840528 _cell_length_b 3.23840528 _cell_length_c 6.48567802 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RhWBr2 _chemical_formula_sum 'Rh1 W1 Br2' _cell_volume 68.01704847 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61920264 1.61920264 4.81335840 1 Br Br1 1 1.61920264 1.61920264 1.67231962 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 3.24283901 1 [/CIF]
Br2RhW
P4/mmm
123
tetragonal
4/mmm
10,901.965739
false
[CIF] data_LiNiSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.69579991 _cell_length_b 8.69579991 _cell_length_c 8.69579991 _cell_angle_alpha 21.86838024 _cell_angle_beta 21.86838024 _cell_angle_gamma 21.86838024 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNiSn2 _chemical_formula_sum 'Li1 Ni1 Sn2' _cell_volume 79.96380721 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 12.72698847 1 Sn Sn2 1 0.00000000 0.00000000 6.09151544 1 Sn Sn3 1 0.00000000 0.00000000 19.36246151 1 [/CIF]
LiNiSn2
R-3m
166
trigonal
-3m
6,293.268012
false
[CIF] data_KFeAgIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73916653 _cell_length_b 4.73916653 _cell_length_c 4.73916653 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KFeAgIr _chemical_formula_sum 'K1 Fe1 Ag1 Ir1' _cell_volume 75.26462654 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.02664519 5.02664519 5.02664519 1 Fe Fe1 1 3.35109679 3.35109679 3.35109679 1 Ir Ir2 1 1.67554839 1.67554839 1.67554840 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgFeIrK
F-43m
216
cubic
-43m
8,715.385791
false
[CIF] data_YSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70579922 _cell_length_b 3.70579922 _cell_length_c 3.19456772 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSi _chemical_formula_sum 'Y1 Si1' _cell_volume 43.87083190 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Y Y1 1 1.85289961 1.85289961 1.59728386 1 [/CIF]
Si2Y2
P4/mmm
123
tetragonal
4/mmm
4,428.214662
false
[CIF] data_TbGePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66295403 _cell_length_b 5.66295403 _cell_length_c 7.06124505 _cell_angle_alpha 128.15158198 _cell_angle_beta 128.15158198 _cell_angle_gamma 45.74243078 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbGePd _chemical_formula_sum 'Tb2 Ge2 Pd2' _cell_volume 120.33237654 _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 Tb Tb0 1 4.22776111 0.00000000 1.58169296 1 Tb Tb1 1 1.47346789 -0.00000000 3.65740104 1 Ge Ge2 1 4.53971491 0.00000000 4.67631576 1 Ge Ge3 1 1.16151409 0.00000000 0.56277824 1 Pd Pd4 1 -1.57890818 0.00000000 3.81113178 1 Pd Pd5 1 7.28013718 0.00000000 1.42796222 1 [/CIF]
Ge2Pd2Tb2
C2/m
12
monoclinic
2/m
9,328.127537
false
[CIF] data_Eu2AgHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51586564 _cell_length_b 5.51586564 _cell_length_c 5.51586564 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Eu2AgHg _chemical_formula_sum 'Eu2 Ag1 Hg1' _cell_volume 118.66592775 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Eu Eu0 1 5.85045900 5.85045900 5.85045900 1 Eu Eu1 1 1.95015300 1.95015300 1.95015300 1 Ag Ag2 1 0.00000000 0.00000000 0.00000000 1 Hg Hg3 1 3.90030600 3.90030600 3.90030600 1 [/CIF]
AgEu2Hg
Fm-3m
225
cubic
m-3m
8,569.3613
false
[CIF] data_MgCd2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15016566 _cell_length_b 5.15016566 _cell_length_c 5.15016566 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCd2Sn _chemical_formula_sum 'Mg1 Cd2 Sn1' _cell_volume 96.59365455 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.46257559 5.46257559 5.46257559 1 Cd Cd1 1 1.82085853 1.82085853 1.82085853 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.64171706 3.64171706 3.64171706 1 [/CIF]
Cd2MgSn
Fm-3m
225
cubic
m-3m
6,323.476542
false
[CIF] data_AlNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78729431 _cell_length_b 3.78729431 _cell_length_c 3.78729431 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlNi _chemical_formula_sum 'Al1 Ni1' _cell_volume 38.41246423 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.33901075 1.33901075 1.33901075 1 [/CIF]
AlNi
F-43m
216
cubic
-43m
3,703.656754
false
[CIF] data_ScGaB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93141308 _cell_length_b 3.93141308 _cell_length_c 3.93141308 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScGaB _chemical_formula_sum 'Sc1 Ga1 B1' _cell_volume 42.96660483 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 4.16989327 4.16989327 4.16989327 1 Sc Sc2 1 1.38996442 1.38996443 1.38996443 1 [/CIF]
BGaSc
F-43m
216
cubic
-43m
4,849.834009
false
[CIF] data_KSiI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31263733 _cell_length_b 6.31263733 _cell_length_c 6.31263733 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSiI3 _chemical_formula_sum 'K1 Si1 I3' _cell_volume 251.55474727 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy I I0 1 3.15631867 0.00000000 3.15631867 1 I I1 1 3.15631867 3.15631867 0.00000000 1 I I2 1 0.00000000 3.15631867 3.15631867 1 K K3 1 3.15631867 3.15631867 3.15631867 1 Si Si4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
I3KSi
Pm-3m
221
cubic
m-3m
2,956.616097
false
[CIF] data_ZrSnB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52007642 _cell_length_b 3.52007642 _cell_length_c 4.90783244 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSnB2 _chemical_formula_sum 'Zr1 Sn1 B2' _cell_volume 60.81264749 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76003821 1.76003821 4.39972072 1 B B1 1 0.00000000 0.00000000 1.77915223 1 Sn Sn2 1 1.76003821 1.76003821 1.90985477 1 Zr Zr3 1 0.00000000 0.00000000 4.18085343 1 [/CIF]
B2SnZr
P4mm
99
tetragonal
4mm
6,322.825925
false
[CIF] data_MgTiSeS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61815068 _cell_length_b 4.61815068 _cell_length_c 4.61815068 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTiSeS _chemical_formula_sum 'Mg1 Ti1 Se1 S1' _cell_volume 69.64489659 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 S S1 1 4.89828849 4.89828849 4.89828849 1 Se Se2 1 1.63276283 1.63276283 1.63276283 1 Ti Ti3 1 3.26552566 3.26552566 3.26552566 1 [/CIF]
MgSSeTi
F-43m
216
cubic
-43m
4,367.955016
false
[CIF] data_AlV2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45652302 _cell_length_b 4.45652302 _cell_length_c 4.45652302 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlV2Cd _chemical_formula_sum 'Al1 V2 Cd1' _cell_volume 62.58546245 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 3.15123765 3.15123765 3.15123765 1 V V2 1 1.57561882 1.57561882 1.57561882 1 V V3 1 4.72685647 4.72685647 4.72685647 1 [/CIF]
AlCdV2
Fm-3m
225
cubic
m-3m
6,401.605772
false
[CIF] data_TiSiAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92344705 _cell_length_b 3.92344705 _cell_length_c 4.33714281 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSiAu2 _chemical_formula_sum 'Ti1 Si1 Au2' _cell_volume 66.76353352 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96172352 0.00000000 2.16857140 1 Au Au1 1 0.00000000 1.96172352 2.16857140 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 1.96172352 1.96172352 0.00000000 1 [/CIF]
Au2SiTi
P4/mmm
123
tetragonal
4/mmm
11,686.971173
false
[CIF] data_SiAg2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37135370 _cell_length_b 4.37135370 _cell_length_c 4.36004005 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAg2Te _chemical_formula_sum 'Si1 Ag2 Te1' _cell_volume 83.31484193 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.18567685 0.00000000 2.18002003 1 Ag Ag1 1 0.00000000 2.18567685 2.18002003 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 2.18567685 2.18567685 0.00000000 1 [/CIF]
Ag2SiTe
P4/mmm
123
tetragonal
4/mmm
7,402.769553
false
[CIF] data_Mo2AsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55764707 _cell_length_b 4.55764707 _cell_length_c 2.93050200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo2AsRu _chemical_formula_sum 'Mo2 As1 Ru1' _cell_volume 60.87281778 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 0.00000000 2.27882353 1.46525100 1 Mo Mo2 1 2.27882353 0.00000000 1.46525100 1 Ru Ru3 1 2.27882353 2.27882353 0.00000000 1 [/CIF]
AsMo2Ru
P4/mmm
123
tetragonal
4/mmm
10,036.196895
false
[CIF] data_KScTcAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93542475 _cell_length_b 4.93542475 _cell_length_c 4.93542475 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KScTcAu _chemical_formula_sum 'K1 Sc1 Tc1 Au1' _cell_volume 85.00776668 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74493615 1.74493615 1.74493615 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 5.23480847 5.23480847 5.23480847 1 Tc Tc3 1 3.48987231 3.48987231 3.48987231 1 [/CIF]
AuKScTc
F-43m
216
cubic
-43m
7,421.481813
false
[CIF] data_Y2ZnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20030383 _cell_length_b 3.20030383 _cell_length_c 8.84394694 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2ZnW _chemical_formula_sum 'Y2 Zn1 W1' _cell_volume 90.57921487 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy W W0 1 1.60015192 1.60015192 6.26574414 1 Y Y1 1 0.00000000 0.00000000 8.40422183 1 Y Y2 1 1.60015192 1.60015192 2.71054804 1 Zn Zn3 1 0.00000000 0.00000000 4.72935334 1 [/CIF]
WY2Zn
P4mm
99
tetragonal
4mm
7,828.938327
false
[CIF] data_BaSr2Li _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23125689 _cell_length_b 6.15481349 _cell_length_c 7.97754219 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.53935748 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSr2Li _chemical_formula_sum 'Ba1 Sr2 Li1' _cell_volume 201.10262049 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.11426748 0.00000000 3.86103238 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 3.05951828 3.07740675 1.78208822 1 Sr Sr3 1 -0.83098333 3.07740675 5.93997654 1 [/CIF]
BaLiSr2
P2/m
10
monoclinic
2/m
2,638.232733
false
[CIF] data_CaHgTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86144289 _cell_length_b 4.86144289 _cell_length_c 4.91744935 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHgTe2 _chemical_formula_sum 'Ca1 Hg1 Te2' _cell_volume 116.21716360 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 2.43072145 2.43072145 0.00000000 1 Te Te2 1 2.43072145 0.00000000 2.45872468 1 Te Te3 1 0.00000000 2.43072145 2.45872468 1 [/CIF]
CaHgTe2
P4/mmm
123
tetragonal
4/mmm
7,085.082447
false
[CIF] data_Hf3(SiNi2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.30918473 _cell_length_b 9.30918473 _cell_length_c 6.08030937 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 147.34852601 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3(SiNi2)2 _chemical_formula_sum 'Hf6 Si4 Ni8' _cell_volume 284.29059637 _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 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 2.61679154 0.00000000 3.04015468 1 Hf Hf2 1 1.30839577 -4.26733638 4.56023203 1 Hf Hf3 1 1.30839577 4.26733638 1.52007734 1 Hf Hf4 1 3.92518731 4.26733638 1.52007734 1 Hf Hf5 1 3.92518731 -4.26733638 4.56023203 1 Ni Ni6 1 1.30839577 -1.57005205 4.56023203 1 Ni Ni7 1 1.30839577 1.57005205 1.52007734 1 Ni Ni8 1 3.92518731 1.57005205 1.52007734 1 Ni Ni9 1 3.92518731 -1.57005205 4.56023203 1 Ni Ni10 1 2.61679154 6.35360944 0.41648453 1 Ni Ni11 1 2.61679154 2.58022078 3.45663922 1 Ni Ni12 1 2.61679154 -2.58022078 2.62367015 1 Ni Ni13 1 2.61679154 -6.35360944 5.66382484 1 Si Si14 1 2.61679154 6.60756875 2.73871678 1 Si Si15 1 2.61679154 2.32626147 5.77887147 1 Si Si16 1 2.61679154 -2.32626147 0.30143790 1 Si Si17 1 2.61679154 -6.60756875 3.34159259 1 [/CIF]
Hf6Ni8Si4
Cmce
64
orthorhombic
mmm
9,654.161946
false
[CIF] data_CoB2P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30192734 _cell_length_b 5.30192734 _cell_length_c 2.85022985 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoB2P3 _chemical_formula_sum 'Co1 B2 P3' _cell_volume 69.38699179 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 2.65096367 1.53053459 0.00000000 1 B B1 1 -0.00000000 3.06106918 0.00000000 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 P P3 1 -1.32548184 2.29580188 1.42511492 1 P P4 1 1.32548184 2.29580188 1.42511492 1 P P5 1 2.65096367 0.00000000 1.42511492 1 [/CIF]
B2CoP3
P6/mmm
191
hexagonal
6/mmm
4,151.563086
false
[CIF] data_Hf2CoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53052715 _cell_length_b 4.53052715 _cell_length_c 4.53052715 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2CoRu _chemical_formula_sum 'Hf2 Co1 Ru1' _cell_volume 65.75536823 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 4.80534971 4.80534971 4.80534971 1 Hf Hf2 1 1.60178324 1.60178323 1.60178323 1 Ru Ru3 1 3.20356647 3.20356647 3.20356647 1 [/CIF]
CoHf2Ru
Fm-3m
225
cubic
m-3m
13,055.524062
false
[CIF] data_MgIn2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01038193 _cell_length_b 3.01038193 _cell_length_c 8.83795953 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgIn2Re _chemical_formula_sum 'Mg1 In2 Re1' _cell_volume 80.09311895 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50519097 1.50519097 6.44219180 1 In In1 1 1.50519097 1.50519097 2.39576773 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 0.00000000 0.00000000 4.41897976 1 [/CIF]
In2MgRe
P4/mmm
123
tetragonal
4/mmm
9,126.163865
false
[CIF] data_AlSi2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61459977 _cell_length_b 4.61459977 _cell_length_c 4.61459977 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSi2Se _chemical_formula_sum 'Al1 Si2 Se1' _cell_volume 69.48436973 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 3.26301479 3.26301479 3.26301479 1 Si Si2 1 1.63150739 1.63150739 1.63150740 1 Si Si3 1 4.89452218 4.89452218 4.89452219 1 [/CIF]
AlSeSi2
Fm-3m
225
cubic
m-3m
3,874.169178
false
[CIF] data_BeTc2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68711732 _cell_length_b 4.68711732 _cell_length_c 4.68711732 _cell_angle_alpha 140.48977333 _cell_angle_beta 124.80658898 _cell_angle_gamma 69.98177474 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTc2Ge _chemical_formula_sum 'Be1 Tc2 Ge1' _cell_volume 52.83464202 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 0.00000000 0.00000000 3.83988927 1 Tc Tc2 1 1.58424899 -0.00000000 1.58727314 1 Tc Tc3 1 0.00000000 2.17128403 2.25261613 1 [/CIF]
BeGeTc2
Immm
71
orthorhombic
mmm
8,783.2876
false
[CIF] data_ScBiMoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74783127 _cell_length_b 4.74783127 _cell_length_c 4.74783127 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBiMoW _chemical_formula_sum 'Sc1 Bi1 Mo1 W1' _cell_volume 75.67820677 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.03583554 5.03583554 5.03583554 1 Mo Mo1 1 3.35722369 3.35722369 3.35722369 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.67861185 1.67861185 1.67861184 1 [/CIF]
BiMoScW
F-43m
216
cubic
-43m
11,711.297547
false
[CIF] data_TbCeCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10897802 _cell_length_b 5.10897802 _cell_length_c 5.10897802 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbCeCr2 _chemical_formula_sum 'Tb1 Ce1 Cr2' _cell_volume 94.29466108 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 1.80629650 1.80629650 1.80629650 1 Cr Cr2 1 5.41888950 5.41888950 5.41888950 1 Tb Tb3 1 3.61259300 3.61259300 3.61259300 1 [/CIF]
CeCr2Tb
Fm-3m
225
cubic
m-3m
7,097.463921
false
[CIF] data_Cs3BiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74045550 _cell_length_b 6.74045550 _cell_length_c 6.74045550 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3BiAu _chemical_formula_sum 'Cs3 Bi1 Au1' _cell_volume 306.24410501 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 0.00000000 3.37022775 0.00000000 1 Cs Cs1 1 0.00000000 0.00000000 3.37022775 1 Cs Cs2 1 3.37022775 0.00000000 0.00000000 1 Au Au3 1 0.00000000 0.00000000 0.00000000 1 Bi Bi4 1 3.37022775 3.37022775 3.37022775 1 [/CIF]
AuBiCs3
Pm-3m
221
cubic
m-3m
4,363.104021
false
[CIF] data_LaC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07043897 _cell_length_b 4.07043897 _cell_length_c 4.07043897 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaC _chemical_formula_sum 'La1 C1' _cell_volume 47.68796012 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 4.31735250 4.31735250 4.31735250 1 [/CIF]
CLa
F-43m
216
cubic
-43m
5,255.041218
false
[CIF] data_ZnGa2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08447906 _cell_length_b 3.78227116 _cell_length_c 5.16843887 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnGa2Ir _chemical_formula_sum 'Zn1 Ga2 Ir1' _cell_volume 60.29674545 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 1.54223953 1.89113558 5.11067045 1 Ga Ga1 1 0.00000000 0.00000000 1.38428562 1 Ir Ir2 1 1.54223953 1.89113558 2.52764818 1 Zn Zn3 1 0.00000000 0.00000000 3.89849292 1 [/CIF]
Ga2IrZn
Pmm2
25
orthorhombic
mm2
10,934.344926
false
[CIF] data_HfMgBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29534216 _cell_length_b 4.64582169 _cell_length_c 6.12977920 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMgBr2 _chemical_formula_sum 'Hf1 Mg1 Br2' _cell_volume 93.84429651 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.32291085 3.06488960 1 Br Br1 1 1.64767108 2.32291085 0.00000000 1 Hf Hf2 1 1.64767108 0.00000000 3.06488960 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2HfMg
Pmmm
47
orthorhombic
mmm
6,416.121912
false
[CIF] data_BaMo2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68064873 _cell_length_b 5.68064873 _cell_length_c 2.94321071 _cell_angle_alpha 98.39816179 _cell_angle_beta 98.39816179 _cell_angle_gamma 122.06225121 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMo2Ru _chemical_formula_sum 'Ba1 Mo2 Ru1' _cell_volume 76.74330881 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 2.75133369 -0.00000000 0.00000000 1 Mo Mo1 1 0.93190350 -2.48495135 1.40310243 1 Mo Mo2 1 0.93190350 2.48495136 1.40310243 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaMo2Ru
C2/m
12
monoclinic
2/m
9,311.016174
false
[CIF] data_LaHfOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30299314 _cell_length_b 3.30299314 _cell_length_c 7.23263496 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHfOs2 _chemical_formula_sum 'La1 Hf1 Os2' _cell_volume 78.90633809 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.61631748 1 La La1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.65149657 1.65149657 2.06911872 1 Os Os3 1 1.65149657 1.65149657 5.16351624 1 [/CIF]
HfLaOs2
P4/mmm
123
tetragonal
4/mmm
14,686.483596
false
[CIF] data_AlSnPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87000693 _cell_length_b 3.87000693 _cell_length_c 7.39410346 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSnPb2 _chemical_formula_sum 'Al1 Sn1 Pb2' _cell_volume 110.74114472 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.35871825 1 Pb Pb1 1 1.93500347 1.93500347 7.12923255 1 Pb Pb2 1 0.00000000 0.00000000 2.05350446 1 Sn Sn3 1 1.93500347 1.93500347 3.94380339 1 [/CIF]
AlPb2Sn
P4mm
99
tetragonal
4mm
8,398.449222
false
[CIF] data_KTaO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65648965 _cell_length_b 6.65648965 _cell_length_c 6.65648965 _cell_angle_alpha 48.41275142 _cell_angle_beta 48.41275142 _cell_angle_gamma 48.41275142 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTaO3 _chemical_formula_sum 'K2 Ta2 O6' _cell_volume 151.29762957 _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 K K0 1 0.00000000 0.00000000 6.36902212 1 K K1 1 0.00000000 0.00000000 11.22043988 1 O O2 1 -1.17451318 -1.96594317 7.63353224 1 O O3 1 2.28981332 -0.03418666 7.63353224 1 O O4 1 -1.11530014 2.00012983 7.63353224 1 O O5 1 1.11530014 -2.00012983 9.95592976 1 O O6 1 -2.28981332 0.03418666 9.95592976 1 O O7 1 1.17451318 1.96594317 9.95592976 1 Ta Ta8 1 -0.00000000 -0.00000000 2.77561828 1 Ta Ta9 1 -0.00000000 -0.00000000 14.81384372 1 [/CIF]
K2O6Ta2
R-3
148
trigonal
-3
5,883.742687
false
[CIF] data_Ba2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.78993438 _cell_length_b 13.78993438 _cell_length_c 13.78993438 _cell_angle_alpha 163.74077869 _cell_angle_beta 163.68480217 _cell_angle_gamma 23.11253859 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Ir _chemical_formula_sum 'Ba4 Ir2' _cell_volume 206.21139315 _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 Ba Ba0 1 1.95007407 -0.97837118 11.84918993 1 Ba Ba1 1 -0.00000000 2.93511352 1.66120091 1 Ba Ba2 1 1.95007407 -0.97837117 8.48058203 1 Ba Ba3 1 0.00000000 2.93511352 5.02980881 1 Ir Ir4 1 -0.00000000 0.97837118 10.18699925 1 Ir Ir5 1 1.95007407 0.97837118 3.32339159 1 [/CIF]
Ba4Ir2
Imma
74
orthorhombic
mmm
7,519.056272
false
[CIF] data_KZn4Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27090007 _cell_length_b 5.27090007 _cell_length_c 5.27090007 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZn4Co _chemical_formula_sum 'K1 Zn4 Co1' _cell_volume 103.54743589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.59063377 5.59063377 5.59063377 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 4.64366491 4.64366491 2.81051345 1 Zn Zn3 1 4.64366491 2.81051345 4.64366491 1 Zn Zn4 1 2.81051345 4.64366491 4.64366491 1 Zn Zn5 1 2.81051345 2.81051345 2.81051345 1 [/CIF]
CoKZn4
F-43m
216
cubic
-43m
5,765.949671
false
[CIF] data_NaRuPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91464823 _cell_length_b 4.91464823 _cell_length_c 2.71825517 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.54864826 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaRuPt2 _chemical_formula_sum 'Na1 Ru1 Pt2' _cell_volume 61.87153540 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 1.41738072 2.00735489 1.35912758 1 Pt Pt2 1 1.41738072 -2.00735490 1.35912758 1 Ru Ru3 1 2.83476145 -0.00000000 0.00000000 1 [/CIF]
NaPt2Ru
Cmmm
65
orthorhombic
mmm
13,801.100854
false
[CIF] data_AlReSnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61403263 _cell_length_b 4.61403263 _cell_length_c 4.61403263 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlReSnAu _chemical_formula_sum 'Al1 Re1 Sn1 Au1' _cell_volume 69.45875364 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 1.63130688 1.63130688 1.63130688 1 Re Re2 1 4.89392064 4.89392064 4.89392064 1 Sn Sn3 1 3.26261376 3.26261376 3.26261376 1 [/CIF]
AlAuReSn
F-43m
216
cubic
-43m
12,643.491657
false
[CIF] data_Sr2In3Rh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94765607 _cell_length_b 5.94765607 _cell_length_c 7.99111104 _cell_angle_alpha 113.28981988 _cell_angle_beta 113.28981988 _cell_angle_gamma 42.59001446 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2In3Rh2 _chemical_formula_sum 'Sr2 In3 Rh2' _cell_volume 173.22551755 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 7.62883283 -0.00000000 4.02615295 1 In In2 1 0.06322472 0.00000000 3.20976116 1 Rh Rh3 1 1.43121059 0.00000000 5.74509268 1 Rh Rh4 1 6.26084695 -0.00000000 1.49082143 1 Sr Sr5 1 4.50312607 -0.00000000 5.61840087 1 Sr Sr6 1 3.18893147 0.00000000 1.61751324 1 [/CIF]
In3Rh2Sr2
C2/m
12
monoclinic
2/m
6,954.687811
false
[CIF] data_NaInReBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06881076 _cell_length_b 5.06881076 _cell_length_c 5.06881076 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaInReBi _chemical_formula_sum 'Na1 In1 Re1 Bi1' _cell_volume 92.08804100 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.37628569 5.37628569 5.37628569 1 In In1 1 3.58419046 3.58419046 3.58419046 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 1.79209523 1.79209523 1.79209523 1 [/CIF]
BiInNaRe
F-43m
216
cubic
-43m
9,611.012366
false
[CIF] data_NaCdB3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50497461 _cell_length_b 4.50497461 _cell_length_c 4.50497461 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCdB3 _chemical_formula_sum 'Na1 Cd1 B3' _cell_volume 91.42754176 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 B B1 1 2.25248730 0.00000000 2.25248730 1 B B2 1 2.25248730 2.25248730 0.00000000 1 B B3 1 0.00000000 2.25248730 2.25248730 1 Cd Cd4 1 2.25248730 2.25248730 2.25248730 1 [/CIF]
B3CdNa
Pm-3m
221
cubic
m-3m
3,048.255758
false
[CIF] data_HoFe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35867408 _cell_length_b 4.35867408 _cell_length_c 4.35867408 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoFe3 _chemical_formula_sum 'Ho1 Fe3' _cell_volume 58.55287041 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 4.62307200 4.62307200 4.62307200 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 1.54102400 1.54102400 1.54102400 1 Ho Ho3 1 3.08204800 3.08204800 3.08204800 1 [/CIF]
Fe3Ho
Fm-3m
225
cubic
m-3m
9,428.600994
false
[CIF] data_ZnAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48197968 _cell_length_b 5.48197968 _cell_length_c 6.79358262 _cell_angle_alpha 105.88923790 _cell_angle_beta 105.88923790 _cell_angle_gamma 30.87448582 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnAg2 _chemical_formula_sum 'Zn2 Ag4' _cell_volume 100.45263739 _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 Ag Ag0 1 6.97838779 0.00000000 5.70128341 1 Ag Ag1 1 1.66046977 -0.00000000 0.81251730 1 Ag Ag2 1 8.20470109 0.00000000 3.03587511 1 Ag Ag3 1 0.43415646 0.00000000 3.47792560 1 Zn Zn4 1 4.59329211 0.00000000 1.31910978 1 Zn Zn5 1 4.04556544 -0.00000000 5.19469093 1 [/CIF]
Ag4Zn2
C2/m
12
monoclinic
2/m
9,294.027048
false
[CIF] data_LaCuBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47335880 _cell_length_b 3.47335880 _cell_length_c 9.22190144 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCuBi2 _chemical_formula_sum 'La1 Cu1 Bi2' _cell_volume 111.25506027 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.04581606 1 Bi Bi1 1 1.73667940 1.73667940 2.93008092 1 Cu Cu2 1 0.00000000 0.00000000 4.55004015 1 La La3 1 1.73667940 1.73667940 6.52881647 1 [/CIF]
Bi2CuLa
P4mm
99
tetragonal
4mm
9,259.972618
false
[CIF] data_KTiMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91581304 _cell_length_b 3.91581304 _cell_length_c 8.29966316 _cell_angle_alpha 93.71427421 _cell_angle_beta 93.71427421 _cell_angle_gamma 42.89422260 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTiMn2 _chemical_formula_sum 'K1 Ti1 Mn2' _cell_volume 86.41155801 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.27540869 -0.00000000 1.79677939 1 Mn Mn1 1 6.61611321 -0.00000000 7.38326100 1 Mn Mn2 1 1.37630095 0.00000000 6.46005306 1 Ti Ti3 1 3.51135052 -0.00000000 5.05874671 1 [/CIF]
KMn2Ti
Cm
8
monoclinic
m
3,782.628453
false
[CIF] data_AlSiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55259710 _cell_length_b 11.38174739 _cell_length_c 4.94698933 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSiNi _chemical_formula_sum 'Al4 Si4 Ni4' _cell_volume 200.03033999 _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 0.00000000 1.36055121 1.86792119 1 Al Al1 1 1.77629855 4.33032249 3.07906814 1 Al Al2 1 1.77629855 7.05142490 3.07906814 1 Al Al3 1 0.00000000 10.02119618 1.86792119 1 Ni Ni4 1 0.00000000 4.49733871 4.66810226 1 Ni Ni5 1 1.77629855 1.19353499 0.27888707 1 Ni Ni6 1 1.77629855 10.18821240 0.27888707 1 Ni Ni7 1 0.00000000 6.88440868 4.66810226 1 Si Si8 1 0.00000000 9.13976259 4.19646194 1 Si Si9 1 1.77629855 7.93285849 0.75052739 1 Si Si10 1 1.77629855 3.44888890 0.75052739 1 Si Si11 1 0.00000000 2.24198480 4.19646194 1 [/CIF]
Al4Ni4Si4
Pmmn
59
orthorhombic
mmm
3,777.500004
false
[CIF] data_ZrTl2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27373675 _cell_length_b 5.27373675 _cell_length_c 5.27373675 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTl2Br _chemical_formula_sum 'Zr1 Tl2 Br1' _cell_volume 103.71470695 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Tl Tl1 1 3.72909502 3.72909502 3.72909502 1 Tl Tl2 1 1.86454751 1.86454751 1.86454751 1 Zr Zr3 1 5.59364253 5.59364253 5.59364253 1 [/CIF]
BrTl2Zr
F-43m
216
cubic
-43m
9,284.48497
false
[CIF] data_CrRe2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32255648 _cell_length_b 4.32255648 _cell_length_c 4.32255648 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrRe2Tc _chemical_formula_sum 'Cr1 Re2 Tc1' _cell_volume 57.10932570 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 3.05650900 3.05650900 3.05650900 1 Re Re2 1 1.52825450 1.52825450 1.52825450 1 Tc Tc3 1 4.58476350 4.58476350 4.58476350 1 [/CIF]
CrRe2Tc
F-43m
216
cubic
-43m
15,216.204177
false
[CIF] data_Hf2MnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03135547 _cell_length_b 3.03135547 _cell_length_c 7.40191179 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2MnRu _chemical_formula_sum 'Hf2 Mn1 Ru1' _cell_volume 68.01702595 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.21596518 1 Hf Hf1 1 1.51567773 1.51567773 2.11889140 1 Mn Mn2 1 0.00000000 0.00000000 3.94016118 1 Ru Ru3 1 1.51567773 1.51567773 5.22976171 1 [/CIF]
Hf2MnRu
P4mm
99
tetragonal
4mm
12,523.87439
false
[CIF] data_BaAu2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45243872 _cell_length_b 4.45243872 _cell_length_c 5.00889667 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAu2Se _chemical_formula_sum 'Ba1 Au2 Se1' _cell_volume 99.29742224 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.22621936 2.50444834 1 Au Au1 1 2.22621936 0.00000000 2.50444834 1 Ba Ba2 1 2.22621936 2.22621936 0.00000000 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2BaSe
P4/mmm
123
tetragonal
4/mmm
10,204.63931
false
[CIF] data_VC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51464951 _cell_length_b 3.51464951 _cell_length_c 3.51464951 _cell_angle_alpha 128.65176512 _cell_angle_beta 128.65176512 _cell_angle_gamma 75.57154736 _symmetry_Int_Tables_number 1 _chemical_formula_structural VC2 _chemical_formula_sum 'V1 C2' _cell_volume 25.76221005 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.45034148 1 C C1 1 -0.00000000 0.00000000 2.10496394 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
C2V
I4/mmm
139
tetragonal
4/mmm
4,831.837942
false
[CIF] data_TlGaFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85842034 _cell_length_b 4.85842034 _cell_length_c 2.87255393 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.31764956 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlGaFe2 _chemical_formula_sum 'Tl1 Ga1 Fe2' _cell_volume 63.98702247 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40516202 -1.98156044 1.43627696 1 Fe Fe1 1 1.40516202 1.98156043 1.43627696 1 Ga Ga2 1 0.00000000 -0.00000000 0.00000000 1 Tl Tl3 1 2.81032403 -0.00000000 0.00000000 1 [/CIF]
Fe2GaTl
Cmmm
65
orthorhombic
mmm
10,011.871207
false
[CIF] data_InAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23406393 _cell_length_b 5.23406393 _cell_length_c 5.23406393 _cell_angle_alpha 144.92162071 _cell_angle_beta 133.79025398 _cell_angle_gamma 59.31038686 _symmetry_Int_Tables_number 1 _chemical_formula_structural InAg2 _chemical_formula_sum 'In1 Ag2' _cell_volume 58.94337267 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.09183838 1 Ag Ag1 1 0.00000000 0.00000000 3.00516058 1 In In2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag4In2
Immm
71
orthorhombic
mmm
9,312.30213
false
[CIF] data_TaReSbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69207171 _cell_length_b 4.69207171 _cell_length_c 4.69207171 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaReSbAu _chemical_formula_sum 'Ta1 Re1 Sb1 Au1' _cell_volume 73.04305423 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 1 Ta Ta1 1 4.97669358 4.97669358 4.97669358 1 Re Re2 1 3.31779572 3.31779572 3.31779572 1 Au Au3 1 1.65889786 1.65889786 1.65889786 1 [/CIF]
AuReSbTa
F-43m
216
cubic
-43m
15,592.624831
false
[CIF] data_CdCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19207073 _cell_length_b 3.99966290 _cell_length_c 5.37732380 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdCo _chemical_formula_sum 'Cd4 Co4' _cell_volume 133.17585289 _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 Cd Cd0 1 0.94220319 0.99991573 0.63301001 1 Cd Cd1 1 2.15383217 2.99974718 3.32167191 1 Cd Cd2 1 4.03823856 0.99991573 2.05565189 1 Cd Cd3 1 5.24986754 2.99974718 4.74431379 1 Co Co4 1 0.23901127 0.99991573 3.23777496 1 Co Co5 1 2.85702410 2.99974718 0.54911306 1 Co Co6 1 3.33504663 0.99991573 4.82821074 1 Co Co7 1 5.95305946 2.99974718 2.13954884 1 [/CIF]
Cd4Co4
Pnma
62
orthorhombic
mmm
8,545.805368
false
[CIF] data_LaCrRuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93286002 _cell_length_b 4.93286002 _cell_length_c 4.93286002 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCrRuPb _chemical_formula_sum 'La1 Cr1 Ru1 Pb1' _cell_volume 84.87531064 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 3.48805877 3.48805877 3.48805877 1 Pb Pb2 1 1.74402939 1.74402939 1.74402939 1 Ru Ru3 1 5.23208815 5.23208816 5.23208816 1 [/CIF]
CrLaPbRu
F-43m
216
cubic
-43m
9,766.018959
false
[CIF] data_AlCo2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16213495 _cell_length_b 4.16213495 _cell_length_c 4.16213495 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCo2Pd _chemical_formula_sum 'Al1 Co2 Pd1' _cell_volume 50.98394951 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Co Co1 1 1.47153692 1.47153693 1.47153693 1 Co Co2 1 4.41461077 4.41461077 4.41461077 1 Pd Pd3 1 2.94307385 2.94307385 2.94307385 1 [/CIF]
AlCo2Pd
Fm-3m
225
cubic
m-3m
8,183.756175
false
[CIF] data_Fe2CoCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.64056200 _cell_length_b 7.64056200 _cell_length_c 7.64056200 _cell_angle_alpha 20.15433911 _cell_angle_beta 20.15433911 _cell_angle_gamma 20.15433911 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2CoCl _chemical_formula_sum 'Fe2 Co1 Cl1' _cell_volume 46.33033115 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Co Co1 1 0.00000000 -0.00000000 11.22448190 1 Fe Fe2 1 0.00000000 0.00000000 16.81383299 1 Fe Fe3 1 -0.00000000 0.00000000 5.63513081 1 [/CIF]
ClCoFe2
R-3m
166
trigonal
-3m
7,386.037695
false
[CIF] data_K2PdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.82455203 _cell_length_b 10.82455203 _cell_length_c 10.82455203 _cell_angle_alpha 16.16191739 _cell_angle_beta 16.16191739 _cell_angle_gamma 16.16191739 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2PdRh _chemical_formula_sum 'K2 Pd1 Rh1' _cell_volume 85.66853822 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.04928776 1 K K1 1 -0.00000000 0.00000000 23.99371464 1 Pd Pd2 1 -0.00000000 -0.00000000 16.02150120 1 Rh Rh3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
K2PdRh
R-3m
166
trigonal
-3m
5,573.127424
false
[CIF] data_AlOsPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65183705 _cell_length_b 4.65183705 _cell_length_c 2.75928123 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlOsPd2 _chemical_formula_sum 'Al1 Os1 Pd2' _cell_volume 59.70970883 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 2.32591853 2.32591853 0.00000000 1 Pd Pd2 1 2.32591853 0.00000000 1.37964062 1 Pd Pd3 1 0.00000000 2.32591853 1.37964062 1 [/CIF]
AlOsPd2
P4/mmm
123
tetragonal
4/mmm
11,959.820179
false
[CIF] data_NdTaAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90277154 _cell_length_b 4.90277154 _cell_length_c 4.90277154 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdTaAu2 _chemical_formula_sum 'Nd1 Ta1 Au2' _cell_volume 83.33164795 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73339150 1.73339150 1.73339150 1 Au Au1 1 5.20017450 5.20017450 5.20017450 1 Nd Nd2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 3.46678300 3.46678300 3.46678300 1 [/CIF]
Au2NdTa
Fm-3m
225
cubic
m-3m
14,329.872197
false
[CIF] data_AlSnBiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00183213 _cell_length_b 5.00183213 _cell_length_c 5.00183213 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSnBiPt _chemical_formula_sum 'Al1 Sn1 Bi1 Pt1' _cell_volume 88.48554681 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 5.30524413 5.30524413 5.30524413 1 Pt Pt2 1 3.53682942 3.53682942 3.53682942 1 Sn Sn3 1 1.76841471 1.76841471 1.76841471 1 [/CIF]
AlBiPtSn
F-43m
216
cubic
-43m
10,316.839823
false
[CIF] data_VCrFeCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04008221 _cell_length_b 4.04008221 _cell_length_c 4.04008221 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCrFeCo _chemical_formula_sum 'V1 Cr1 Fe1 Co1' _cell_volume 46.62894730 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42838476 1.42838476 1.42838476 1 Cr Cr1 1 4.28515429 4.28515429 4.28515429 1 Fe Fe2 1 2.85676953 2.85676953 2.85676953 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoCrFeV
F-43m
216
cubic
-43m
7,753.24351
false
[CIF] data_LaAgSnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05752334 _cell_length_b 5.05752334 _cell_length_c 5.05752334 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAgSnMo _chemical_formula_sum 'La1 Ag1 Sn1 Mo1' _cell_volume 91.47421460 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.36431358 5.36431358 5.36431358 1 La La1 1 3.57620905 3.57620905 3.57620905 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 1.78810453 1.78810453 1.78810453 1 [/CIF]
AgLaMoSn
F-43m
216
cubic
-43m
8,376.625527
false
[CIF] data_PmHo2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34709622 _cell_length_b 5.34709622 _cell_length_c 5.34709622 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PmHo2V _chemical_formula_sum 'Pm1 Ho2 V1' _cell_volume 108.10331228 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ho Ho0 1 1.89048400 1.89048400 1.89048400 1 Ho Ho1 1 5.67145200 5.67145200 5.67145200 1 Pm Pm2 1 3.78096800 3.78096800 3.78096800 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ho2PmV
Fm-3m
225
cubic
m-3m
8,076.671994
false
[CIF] data_LaCrPd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38144087 _cell_length_b 5.38144087 _cell_length_c 5.38144087 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCrPd4 _chemical_formula_sum 'La1 Cr1 Pd4' _cell_volume 110.19977802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 1.90262667 1.90262667 1.90262667 1 Pd Pd2 1 2.84881742 2.84881742 4.76168924 1 Pd Pd3 1 2.84881742 4.76168924 2.84881742 1 Pd Pd4 1 4.76168924 2.84881742 2.84881742 1 Pd Pd5 1 4.76168924 4.76168924 4.76168924 1 [/CIF]
CrLaPd4
F-43m
216
cubic
-43m
9,290.924202
false
[CIF] data_CdSb2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17453202 _cell_length_b 6.17453202 _cell_length_c 6.17453202 _cell_angle_alpha 143.81346243 _cell_angle_beta 127.60662734 _cell_angle_gamma 65.33349667 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSb2Te _chemical_formula_sum 'Cd1 Sb2 Te1' _cell_volume 108.67536649 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 0.00000000 2.72577161 2.56666937 1 Sb Sb2 1 1.91759205 0.00000000 2.63120092 1 Te Te3 1 0.00000000 -0.00000000 5.19787029 1 [/CIF]
CdSb2Te
Immm
71
orthorhombic
mmm
7,388.262321
false
[CIF] data_GaAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01448305 _cell_length_b 3.01448305 _cell_length_c 8.51664627 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAs3 _chemical_formula_sum 'Ga1 As3' _cell_volume 77.39168495 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50724153 1.50724153 6.38588408 1 As As1 1 0.00000000 0.00000000 4.25832314 1 As As2 1 1.50724153 1.50724153 2.13076219 1 Ga Ga3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As3Ga
P4/mmm
123
tetragonal
4/mmm
6,318.618038
false
[CIF] data_ZrNbPtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63823254 _cell_length_b 4.63823254 _cell_length_c 4.63823254 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNbPtRh _chemical_formula_sum 'Zr1 Nb1 Pt1 Rh1' _cell_volume 70.55739802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 3.27972568 3.27972568 3.27972568 1 Pt Pt1 1 4.91958852 4.91958852 4.91958852 1 Rh Rh2 1 1.63986284 1.63986284 1.63986284 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbPtRhZr
F-43m
216
cubic
-43m
11,346.491198
false
[CIF] data_TcGe2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22015020 _cell_length_b 3.22015020 _cell_length_c 7.50444258 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcGe2Bi _chemical_formula_sum 'Tc1 Ge2 Bi1' _cell_volume 77.81632157 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.75222129 1 Ge Ge1 1 1.61007510 1.61007510 6.11823523 1 Ge Ge2 1 1.61007510 1.61007510 1.38620735 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiGe2Tc
P4/mmm
123
tetragonal
4/mmm
9,670.218635
false
[CIF] data_K2CoC4S4N4O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.55026400 _cell_length_b 12.88874600 _cell_length_c 5.73429600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CoC4S4N4O3 _chemical_formula_sum 'K4 Co2 C8 S8 N8 O6' _cell_volume 927.56346382 _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 K K0 1 1.90533088 1.77252479 1.23759870 1 K K1 1 10.64493312 11.11622121 1.23759870 1 K K2 1 4.36980112 8.21689779 4.49669730 1 K K3 1 8.18046288 4.67184821 4.49669730 1 Co Co4 1 0.00000000 6.44437300 1.44043222 1 Co Co5 1 6.27513200 0.00000000 4.29386378 1 C C6 1 2.04972167 4.96589206 5.32938016 1 C C7 1 10.50054233 7.92285394 5.32938016 1 C C8 1 4.22541033 11.41026506 0.40491584 1 C C9 1 8.32485367 1.47848094 0.40491584 1 C C10 1 5.30849812 2.34231048 2.50659267 1 C C11 1 7.24176588 10.54643552 2.50659267 1 C C12 1 0.96663388 8.78668348 3.22770333 1 C C13 1 11.58363012 4.10206252 3.22770333 1 S S14 1 3.00595138 4.03679391 4.27999825 1 S S15 1 9.54431262 8.85195209 4.27999825 1 S S16 1 3.26918062 10.48116691 1.45429775 1 S S17 1 9.28108338 2.40757909 1.45429775 1 S S18 1 4.87233879 3.52107652 1.49937505 1 S S19 1 7.67792521 9.36766948 1.49937505 1 S S20 1 1.40279321 9.96544952 4.23492095 1 S S21 1 11.14747079 2.92329648 4.23492095 1 N N22 1 1.37550893 5.61391243 0.30970933 1 N N23 1 11.17475507 7.27483357 0.30970933 1 N N24 1 4.89962307 12.05828543 5.42458667 1 N N25 1 7.65064093 0.83046057 5.42458667 1 N N26 1 5.62560564 1.47256501 3.25353060 1 N N27 1 6.92465836 11.41618099 3.25353060 1 N N28 1 0.64952636 7.91693801 2.48076540 1 N N29 1 11.90073764 4.97180799 2.48076540 1 O O30 1 2.46689244 2.59548411 4.36037015 1 O O31 1 10.08337156 10.29326189 4.36037015 1 O O32 1 3.80823956 9.03985711 1.37392585 1 O O33 1 8.74202444 3.84888889 1.37392585 1 O O34 1 6.27513200 6.44437300 4.83167767 1 O O35 1 0.00000000 0.00000000 0.90261833 1 [/CIF]
C8Co2K4N8O6S8
P2_12_12
18
orthorhombic
222
1,494.678633
false
[CIF] data_SrMgIrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82243166 _cell_length_b 4.82243166 _cell_length_c 4.82243166 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMgIrPt _chemical_formula_sum 'Sr1 Mg1 Ir1 Pt1' _cell_volume 79.30183710 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.70498706 1.70498706 1.70498706 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 5.11496120 5.11496120 5.11496120 1 Sr Sr3 1 3.40997413 3.40997413 3.40997413 1 [/CIF]
IrMgPtSr
F-43m
216
cubic
-43m
10,453.531802
false
[CIF] data_USi3Ni2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.11435837 _cell_length_b 12.11435837 _cell_length_c 12.11435837 _cell_angle_alpha 161.53109909 _cell_angle_beta 161.53109909 _cell_angle_gamma 26.23461329 _symmetry_Int_Tables_number 1 _chemical_formula_structural USi3Ni2 _chemical_formula_sum 'U2 Si6 Ni4' _cell_volume 178.35778435 _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 U U0 1 -0.00000000 -0.00000000 20.06507162 1 U U1 1 0.00000000 0.00000000 3.53145638 1 Si Si2 1 0.00000000 1.94404800 10.62714472 1 Si Si3 1 1.94404800 0.00000000 10.62714472 1 Si Si4 1 1.94404800 -0.00000000 1.17111928 1 Si Si5 1 -0.00000000 1.94404800 1.17111928 1 Si Si6 1 0.00000000 -0.00000000 16.43552447 1 Si Si7 1 0.00000000 0.00000000 7.16100353 1 Ni Ni8 1 0.00000000 1.94404800 5.89913200 1 Ni Ni9 1 1.94404800 0.00000000 5.89913200 1 Ni Ni10 1 -0.00000000 -0.00000000 14.14845459 1 Ni Ni11 1 0.00000000 0.00000000 9.44807341 1 [/CIF]
Ni4Si6U2
I4/mmm
139
tetragonal
4/mmm
8,186.835062
false
[CIF] data_NbCr2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86699081 _cell_length_b 4.86699081 _cell_length_c 4.86699081 _cell_angle_alpha 143.63684051 _cell_angle_beta 128.76164071 _cell_angle_gamma 64.44628403 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCr2Co _chemical_formula_sum 'Nb1 Cr2 Co1' _cell_volume 52.63437332 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.22996823 1 Cr Cr1 1 1.51864467 0.00000000 0.08578319 1 Cr Cr2 1 -0.00000000 -0.00000000 1.94786655 1 Nb Nb3 1 1.51864467 -0.00000000 4.08848161 1 [/CIF]
CoCr2Nb
Imm2
44
orthorhombic
mm2
8,071.12596
false
[CIF] data_SiTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.81635225 _cell_length_b 11.81635225 _cell_length_c 11.81635225 _cell_angle_alpha 161.75741529 _cell_angle_beta 161.75741529 _cell_angle_gamma 25.91029272 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiTe2 _chemical_formula_sum 'Si2 Te4' _cell_volume 161.62483364 _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 Si Si0 1 -0.00000000 1.87318725 5.75778863 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.87318725 0.00000000 7.33883985 1 Te Te3 1 0.00000000 0.00000000 9.93452604 1 Te Te4 1 1.87318725 0.00000000 4.17673741 1 Te Te5 1 -0.00000000 0.00000000 13.09662848 1 [/CIF]
Si2Te4
I4_1/amd
141
tetragonal
4/mmm
5,820.969824
false
[CIF] data_BaCoGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94008934 _cell_length_b 4.31117626 _cell_length_c 6.07405000 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.52577551 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCoGe2 _chemical_formula_sum 'Ba1 Co1 Ge2' _cell_volume 101.09580204 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.36322050 0.00000000 2.97578314 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Ge Ge2 1 3.15263614 2.15558813 0.87876554 1 Ge Ge3 1 -0.42619514 2.15558813 5.07280073 1 [/CIF]
BaCoGe2
P2/m
10
monoclinic
2/m
5,609.934589
false
[CIF] data_Hf2FeP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43972721 _cell_length_b 4.06859223 _cell_length_c 4.58797190 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2FeP _chemical_formula_sum 'Hf2 Fe1 P1' _cell_volume 64.20796662 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.03429612 2.29398595 1 Hf Hf1 1 1.71986361 2.03429612 0.00000000 1 Hf Hf2 1 1.71986361 0.00000000 2.29398595 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeHf2P
Pmmm
47
orthorhombic
mmm
11,477.47267
false
[CIF] data_BaLaTaOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28612623 _cell_length_b 5.28612623 _cell_length_c 5.28612623 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLaTaOs _chemical_formula_sum 'Ba1 La1 Ta1 Os1' _cell_volume 104.44738950 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 3.73785570 3.73785570 3.73785570 1 Os Os2 1 1.86892785 1.86892785 1.86892785 1 Ta Ta3 1 5.60678355 5.60678355 5.60678355 1 [/CIF]
BaLaOsTa
F-43m
216
cubic
-43m
10,292.743394
false
[CIF] data_Ba2TaCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11984950 _cell_length_b 6.11984950 _cell_length_c 6.11984950 _cell_angle_alpha 132.43914766 _cell_angle_beta 132.43914766 _cell_angle_gamma 69.53631897 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TaCo _chemical_formula_sum 'Ba2 Ta1 Co1' _cell_volume 122.45694452 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 -0.00000000 5.02724976 1 Ba Ba1 1 0.00000000 2.46772342 2.51362488 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 2.46772342 -0.00000000 2.51362488 1 [/CIF]
Ba2CoTa
I-4m2
119
tetragonal
-42m
6,977.191833
false
[CIF] data_CsIrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09367700 _cell_length_b 4.09367700 _cell_length_c 4.09367700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsIrO3 _chemical_formula_sum 'Cs1 Ir1 O3' _cell_volume 68.60262262 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 2.04683850 2.04683850 2.04683850 1 O O2 1 2.04683850 2.04683850 0.00000000 1 O O3 1 2.04683850 0.00000000 2.04683850 1 O O4 1 0.00000000 2.04683850 2.04683850 1 [/CIF]
CsIrO3
Pm-3m
221
cubic
m-3m
9,031.453834
false
[CIF] data_TaAl2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38453801 _cell_length_b 5.38453801 _cell_length_c 5.38453801 _cell_angle_alpha 147.60271044 _cell_angle_beta 131.37501772 _cell_angle_gamma 59.64620726 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAl2Rh _chemical_formula_sum 'Ta1 Al2 Rh1' _cell_volume 62.22386376 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.01497569 1 Al Al1 1 1.50211591 -0.00000000 2.51124793 1 Rh Rh2 1 0.00000000 -0.00000000 4.58851322 1 Ta Ta3 1 -0.00000000 2.21688454 2.22813644 1 [/CIF]
Al2RhTa
Imm2
44
orthorhombic
mm2
9,015.149344
false
[CIF] data_V2FeB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88559238 _cell_length_b 3.88559238 _cell_length_c 3.88559238 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2FeB _chemical_formula_sum 'V2 Fe1 B1' _cell_volume 41.48171641 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 4.12129308 4.12129308 4.12129308 1 V V2 1 2.74752872 2.74752872 2.74752872 1 V V3 1 1.37376436 1.37376436 1.37376436 1 [/CIF]
BFeV2
F-43m
216
cubic
-43m
6,746.72164
false
[CIF] data_LiLaSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10574309 _cell_length_b 5.10574309 _cell_length_c 5.10574309 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaSb3 _chemical_formula_sum 'Li1 La1 Sb3' _cell_volume 133.09963814 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.55287155 0.00000000 1 Sb Sb1 1 0.00000000 0.00000000 2.55287155 1 Sb Sb2 1 2.55287155 0.00000000 0.00000000 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 La La4 1 2.55287155 2.55287155 2.55287155 1 [/CIF]
LaLiSb3
Pm-3m
221
cubic
m-3m
6,376.767685
false
[CIF] data_CeSm2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44372995 _cell_length_b 5.44372995 _cell_length_c 5.44372995 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeSm2Zn _chemical_formula_sum 'Ce1 Sm2 Zn1' _cell_volume 114.07086102 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 3.84929836 3.84929836 3.84929836 1 Sm Sm1 1 1.92464918 1.92464918 1.92464918 1 Sm Sm2 1 5.77394754 5.77394754 5.77394754 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CeSm2Zn
Fm-3m
225
cubic
m-3m
7,369.02866
false
[CIF] data_NaNbIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39519622 _cell_length_b 4.39519622 _cell_length_c 4.39519622 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNbIr _chemical_formula_sum 'Na1 Nb1 Ir1' _cell_volume 60.03711396 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.55393653 1.55393653 1.55393653 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 3.10787305 3.10787305 3.10787305 1 [/CIF]
IrNaNb
F-43m
216
cubic
-43m
8,521.960627
false
[CIF] data_TaTlCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10918796 _cell_length_b 4.08146553 _cell_length_c 7.20459572 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTlCl2 _chemical_formula_sum 'Ta1 Tl1 Cl2' _cell_volume 91.42663298 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.46534239 1 Cl Cl1 1 1.55459398 2.04073277 2.24100960 1 Ta Ta2 1 0.00000000 0.00000000 2.85291702 1 Tl Tl3 1 1.55459398 2.04073277 5.24762457 1 [/CIF]
Cl2TaTl
Pmm2
25
orthorhombic
mm2
8,286.421979
false
[CIF] data_Ca4SnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38411944 _cell_length_b 6.38411944 _cell_length_c 6.38411944 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4SnPd _chemical_formula_sum 'Ca4 Sn1 Pd1' _cell_volume 183.98737090 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.38354875 3.38354875 5.64495955 1 Ca Ca1 1 3.38354875 5.64495955 3.38354875 1 Ca Ca2 1 5.64495955 3.38354875 3.38354875 1 Ca Ca3 1 5.64495955 5.64495955 5.64495955 1 Pd Pd4 1 0.00000000 0.00000000 0.00000000 1 Sn Sn5 1 2.25712708 2.25712708 2.25712708 1 [/CIF]
Ca4PdSn
F-43m
216
cubic
-43m
3,478.725174
false
[CIF] data_La2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34752719 _cell_length_b 6.34752719 _cell_length_c 6.34752719 _cell_angle_alpha 147.17830914 _cell_angle_beta 147.17830914 _cell_angle_gamma 47.09983879 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2Ru _chemical_formula_sum 'La2 Ru1' _cell_volume 74.85391211 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 -0.00000000 0.00000000 7.54882617 1 La La1 1 -0.00000000 0.00000000 4.08888649 1 Ru Ru2 1 -0.00000000 0.00000000 -0.00000000 1 [/CIF]
La2Ru
I4/mmm
139
tetragonal
4/mmm
8,404.992936
false
[CIF] data_CrSb3Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89730237 _cell_length_b 4.89730237 _cell_length_c 4.89730237 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrSb3Os _chemical_formula_sum 'Cr1 Sb3 Os1' _cell_volume 117.45479667 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.44865119 0.00000000 1 Sb Sb1 1 0.00000000 0.00000000 2.44865119 1 Sb Sb2 1 2.44865119 0.00000000 0.00000000 1 Os Os3 1 2.44865119 2.44865119 2.44865119 1 Cr Cr4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrOsSb3
Pm-3m
221
cubic
m-3m
8,588.730651
false
[CIF] data_YNiSnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78047698 _cell_length_b 4.78047698 _cell_length_c 4.78047698 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNiSnW _chemical_formula_sum 'Y1 Ni1 Sn1 W1' _cell_volume 77.25003696 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 5.07046153 5.07046153 5.07046154 1 W W2 1 1.69015384 1.69015384 1.69015385 1 Y Y3 1 3.38030769 3.38030769 3.38030769 1 [/CIF]
NiSnWY
F-43m
216
cubic
-43m
9,676.246703
false
[CIF] data_NaCa2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52078780 _cell_length_b 3.52078780 _cell_length_c 9.32654200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.99982179 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCa2Fe _chemical_formula_sum 'Na1 Ca2 Fe1' _cell_volume 115.59371576 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.46775669 -0.00000000 9.31888799 1 Ca Ca1 1 -0.00000000 0.00000000 3.03750056 1 Fe Fe2 1 2.46775669 -0.00000000 4.58821341 1 Na Na3 1 -0.00000000 0.00000000 6.37175304 1 [/CIF]
Ca2FeNa
Cmm2
35
orthorhombic
mm2
2,283.951008
false
[CIF] data_Mg2AlCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57516095 _cell_length_b 5.57516095 _cell_length_c 5.57516095 _cell_angle_alpha 147.59244309 _cell_angle_beta 129.67076718 _cell_angle_gamma 61.14252847 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2AlCu _chemical_formula_sum 'Mg2 Al1 Cu1' _cell_volume 70.81691661 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.48164100 1 Cu Cu1 1 1.55577338 -0.00000000 2.52353268 1 Mg Mg2 1 0.00000000 -0.00000000 0.27271231 1 Mg Mg3 1 0.00000000 2.37067231 2.32251017 1 [/CIF]
AlCuMg2
Imm2
44
orthorhombic
mm2
3,262.544171
false
[CIF] data_Sr3P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27874508 _cell_length_b 7.27874508 _cell_length_c 11.66208116 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3P _chemical_formula_sum 'Sr12 P4' _cell_volume 535.08122165 _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 P P0 1 0.00000000 0.00000000 5.83104058 1 P P1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 3.63937254 2.10119271 8.74656087 1 P P3 1 -0.00000000 4.20238543 2.91552029 1 Sr Sr4 1 -1.81968627 3.15178907 5.83104058 1 Sr Sr5 1 -1.81968627 3.15178907 0.00000000 1 Sr Sr6 1 1.81968627 3.15178907 5.83104058 1 Sr Sr7 1 3.63937254 0.00000000 5.83104058 1 Sr Sr8 1 3.63937254 0.00000000 0.00000000 1 Sr Sr9 1 1.81968627 3.15178907 0.00000000 1 Sr Sr10 1 1.91002378 5.30513817 8.74656087 1 Sr Sr11 1 1.72934876 0.99843997 2.91552029 1 Sr Sr12 1 -1.91002378 5.30513817 8.74656087 1 Sr Sr13 1 0.00000000 1.99687995 8.74656087 1 Sr Sr14 1 3.63937254 4.30669820 2.91552029 1 Sr Sr15 1 5.54939631 0.99843997 2.91552029 1 [/CIF]
P4Sr12
P6_3/mmc
194
hexagonal
6/mmm
3,647.464507
false
[CIF] data_Ti2FeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02068891 _cell_length_b 3.02068891 _cell_length_c 6.13675623 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2FeRh _chemical_formula_sum 'Ti2 Fe1 Rh1' _cell_volume 55.99520958 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 0.00000000 0.00000000 3.06837811 1 Ti Ti2 1 1.51034446 1.51034446 4.69737349 1 Ti Ti3 1 1.51034446 1.51034446 1.43938274 1 [/CIF]
FeRhTi2
P4/mmm
123
tetragonal
4/mmm
7,546.742968
false
[CIF] data_In2ReAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27011717 _cell_length_b 5.44242058 _cell_length_c 5.44242058 _cell_angle_alpha 39.05037637 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2ReAs _chemical_formula_sum 'In2 Re1 As1' _cell_volume 79.68322710 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.53014638 1 In In1 1 2.13505858 0.00000000 0.34642700 1 In In2 1 0.00000000 0.00000000 7.35077116 1 Re Re3 1 2.13505858 0.00000000 3.18214591 1 [/CIF]
AsIn2Re
Amm2
38
orthorhombic
mm2
10,227.178872
false
[CIF] data_HfGaIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51831848 _cell_length_b 4.51831848 _cell_length_c 4.51831848 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGaIr2 _chemical_formula_sum 'Hf1 Ga1 Ir2' _cell_volume 65.22521541 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.19493364 3.19493364 3.19493364 1 Ir Ir2 1 1.59746682 1.59746682 1.59746682 1 Ir Ir3 1 4.79240046 4.79240046 4.79240046 1 [/CIF]
GaHfIr2
Fm-3m
225
cubic
m-3m
16,106.271973
false