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_CrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12925443 _cell_length_b 4.12925443 _cell_length_c 4.64037843 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrRu _chemical_formula_sum 'Cr2 Ru2' _cell_volume 68.52157213 _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 Cr Cr0 1 2.06462722 1.19201308 3.48028382 1 Cr Cr1 1 -0.00000000 2.38402616 1.16009461 1 Ru Ru2 1 2.06462722 1.19201308 1.16009461 1 Ru Ru3 1 -0.00000000 2.38402616 3.48028382 1 [/CIF]
Cr2Ru2
P6_3/mmc
194
hexagonal
6/mmm
7,418.750947
false
[CIF] data_NiS3Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79242868 _cell_length_b 4.79242868 _cell_length_c 4.79242868 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiS3Br _chemical_formula_sum 'Ni1 S3 Br1' _cell_volume 110.06949541 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 S S1 1 2.39621434 0.00000000 2.39621434 1 S S2 1 2.39621434 2.39621434 0.00000000 1 S S3 1 0.00000000 2.39621434 2.39621434 1 Br Br4 1 2.39621434 2.39621434 2.39621434 1 [/CIF]
BrNiS3
Pm-3m
221
cubic
m-3m
3,542.143546
false
[CIF] data_ScPRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29305145 _cell_length_b 4.29305145 _cell_length_c 4.29305145 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScPRu2 _chemical_formula_sum 'Sc1 P1 Ru2' _cell_volume 55.94783445 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 4.55346868 4.55346868 4.55346868 1 Ru Ru2 1 1.51782289 1.51782290 1.51782289 1 Sc Sc3 1 3.03564579 3.03564579 3.03564579 1 [/CIF]
PRu2Sc
Fm-3m
225
cubic
m-3m
8,253.144406
false
[CIF] data_Li2MoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97380243 _cell_length_b 4.97380243 _cell_length_c 4.97380243 _cell_angle_alpha 130.04886471 _cell_angle_beta 130.04886471 _cell_angle_gamma 73.32865859 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MoPb _chemical_formula_sum 'Li2 Mo1 Pb1' _cell_volume 70.38524424 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 2.10009731 -0.00000000 1.99486173 1 Mo Mo2 1 0.00000000 0.00000000 3.98972345 1 Pb Pb3 1 0.00000000 2.10009731 1.99486173 1 [/CIF]
Li2MoPb
I-4m2
119
tetragonal
-42m
7,479.70164
false
[CIF] data_Be4GaCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22477966 _cell_length_b 4.22477966 _cell_length_c 4.22477966 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be4GaCo _chemical_formula_sum 'Be4 Ga1 Co1' _cell_volume 53.32086602 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.23499081 2.23499081 3.73974989 1 Be Be1 1 2.23499081 3.73974989 2.23499081 1 Be Be2 1 3.73974989 2.23499081 2.23499081 1 Be Be3 1 3.73974989 3.73974989 3.73974989 1 Co Co4 1 0.00000000 0.00000000 0.00000000 1 Ga Ga5 1 1.49368518 1.49368518 1.49368518 1 [/CIF]
Be4CoGa
F-43m
216
cubic
-43m
5,129.304521
false
[CIF] data_HfZrTiNbMoC5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52267550 _cell_length_b 5.52267550 _cell_length_c 7.81851730 _cell_angle_alpha 118.14754785 _cell_angle_beta 118.14754785 _cell_angle_gamma 33.60260630 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrTiNbMoC5 _chemical_formula_sum 'Hf1 Zr1 Ti1 Nb1 Mo1 C5' _cell_volume 114.83705896 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.99305749 -0.00000000 1.97095313 1 C C1 1 2.89746091 0.00000000 6.16356579 1 C C2 1 -1.90076671 -0.00000000 3.40021405 1 C C3 1 3.84704131 -0.00000000 0.62325718 1 C C4 1 5.68780717 -0.00000000 4.84745866 1 Hf Hf5 1 4.81940458 -0.00000000 2.71472992 1 Mo Mo6 1 6.69448826 -0.00000000 6.79578906 1 Nb Nb7 1 7.71010064 0.00000000 1.31163993 1 Ti Ti8 1 -0.98198488 0.00000000 5.47135175 1 Zr Zr9 1 1.91226834 0.00000000 4.11928814 1 [/CIF]
C5HfMoNbTiZr
Cm
8
monoclinic
m
8,191.579016
false
[CIF] data_TcNi4Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64896458 _cell_length_b 4.64896458 _cell_length_c 4.64896458 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcNi4Ru _chemical_formula_sum 'Tc1 Ni4 Ru1' _cell_volume 71.04830382 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.46408756 4.11054120 2.46408756 1 Ni Ni1 1 4.11054120 2.46408756 2.46408756 1 Ni Ni2 1 4.11054120 4.11054120 4.11054120 1 Ni Ni3 1 2.46408756 2.46408756 4.11054120 1 Ru Ru4 1 1.64365719 1.64365719 1.64365719 1 Tc Tc5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ni4RuTc
F-43m
216
cubic
-43m
10,160.960759
false
[CIF] data_SiAs2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73422314 _cell_length_b 4.73422314 _cell_length_c 4.63125872 _cell_angle_alpha 94.86517939 _cell_angle_beta 94.86517939 _cell_angle_gamma 39.41813194 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAs2W _chemical_formula_sum 'Si1 As2 W1' _cell_volume 65.64226638 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68129944 0.00000000 3.37987102 1 As As1 1 6.81523293 -0.00000000 1.23255568 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 4.24826618 -0.00000000 2.30621335 1 [/CIF]
As2SiW
C2/m
12
monoclinic
2/m
9,151.589251
false
[CIF] data_BaLiSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86315382 _cell_length_b 4.86315382 _cell_length_c 5.09605049 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiSn2 _chemical_formula_sum 'Ba1 Li1 Sn2' _cell_volume 120.52294518 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.43157691 2.43157691 0.00000000 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 0.00000000 2.43157691 2.54802524 1 Sn Sn3 1 2.43157691 0.00000000 2.54802524 1 [/CIF]
BaLiSn2
P4/mmm
123
tetragonal
4/mmm
5,258.818461
false
[CIF] data_KCuPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59515240 _cell_length_b 3.59515240 _cell_length_c 8.57958360 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCuPb2 _chemical_formula_sum 'K1 Cu1 Pb2' _cell_volume 110.89215427 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 4.28979180 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 1.79757620 1.79757620 2.69672682 1 Pb Pb3 1 1.79757620 1.79757620 5.88285678 1 [/CIF]
CuKPb2
P4/mmm
123
tetragonal
4/mmm
7,742.407612
false
[CIF] data_Zn2NiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.75138387 _cell_length_b 8.75138387 _cell_length_c 8.75138387 _cell_angle_alpha 18.07234972 _cell_angle_beta 18.07234972 _cell_angle_gamma 18.07234972 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2NiW _chemical_formula_sum 'Zn2 Ni1 W1' _cell_volume 56.32213924 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 -0.00000000 -0.00000000 12.90939866 1 Zn Zn2 1 0.00000000 0.00000000 19.18628548 1 Zn Zn3 1 -0.00000000 0.00000000 6.63251184 1 [/CIF]
NiWZn2
R-3m
166
trigonal
-3m
11,005.765806
false
[CIF] data_ZrBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16949963 _cell_length_b 3.16949963 _cell_length_c 3.16949963 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBe _chemical_formula_sum 'Zr1 Be1' _cell_volume 31.83993086 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Zr Zr1 1 1.58474981 1.58474981 1.58474981 1 [/CIF]
Be2Zr2
Pm-3m
221
cubic
m-3m
5,227.644368
false
[CIF] data_Li2BRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72078016 _cell_length_b 4.72078016 _cell_length_c 4.72078016 _cell_angle_alpha 140.46692520 _cell_angle_beta 140.46692520 _cell_angle_gamma 57.14502096 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2BRh _chemical_formula_sum 'Li2 B1 Rh1' _cell_volume 42.26863878 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 1.59651289 -0.00000000 2.07292418 1 Li Li2 1 -0.00000000 1.59651289 2.07292418 1 Rh Rh3 1 0.00000000 -0.00000000 4.14584835 1 [/CIF]
BLi2Rh
I4/mmm
139
tetragonal
4/mmm
5,012.754141
false
[CIF] data_YbU2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85213845 _cell_length_b 4.85213845 _cell_length_c 4.85213845 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbU2Ni _chemical_formula_sum 'Yb1 U2 Ni1' _cell_volume 80.77641138 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 U U1 1 5.14647000 5.14647000 5.14647000 1 U U2 1 1.71549000 1.71549000 1.71549000 1 Yb Yb3 1 3.43098000 3.43098000 3.43098000 1 [/CIF]
NiU2Yb
Fm-3m
225
cubic
m-3m
14,550.512944
false
[CIF] data_SrIn2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55487337 _cell_length_b 5.55487337 _cell_length_c 3.28933159 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.09693921 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrIn2Tc _chemical_formula_sum 'Sr1 In2 Tc1' _cell_volume 94.69454214 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57122055 -2.29028831 1.64466580 1 In In1 1 1.57122055 2.29028831 1.64466580 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 3.14244109 0.00000000 0.00000000 1 [/CIF]
In2SrTc
Cmmm
65
orthorhombic
mmm
7,297.712999
false
[CIF] data_Fe2PbCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60167375 _cell_length_b 5.60167375 _cell_length_c 4.86057672 _cell_angle_alpha 99.76456441 _cell_angle_beta 99.76456441 _cell_angle_gamma 32.19750454 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2PbCl _chemical_formula_sum 'Fe2 Pb1 Cl1' _cell_volume 79.99185618 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 1.96886165 0.00000000 4.01893392 1 Fe Fe1 1 0.59388987 0.00000000 0.02208089 1 Fe Fe2 1 7.57784283 0.00000000 0.95923056 1 Pb Pb3 1 4.71842087 0.00000000 2.17612863 1 [/CIF]
ClFe2Pb
Cm
8
monoclinic
m
7,355.75373
false
[CIF] data_CeLu2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09039525 _cell_length_b 5.09039525 _cell_length_c 5.09039525 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeLu2Os _chemical_formula_sum 'Ce1 Lu2 Os1' _cell_volume 93.26947174 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Lu Lu1 1 5.39917950 5.39917950 5.39917950 1 Lu Lu2 1 1.79972650 1.79972650 1.79972650 1 Os Os3 1 3.59945300 3.59945300 3.59945300 1 [/CIF]
CeLu2Os
Fm-3m
225
cubic
m-3m
12,111.474751
false
[CIF] data_LiYRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54912232 _cell_length_b 4.54912232 _cell_length_c 4.54912232 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiYRu2 _chemical_formula_sum 'Li1 Y1 Ru2' _cell_volume 66.56835815 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 3.21671524 3.21671524 3.21671524 1 Ru Ru2 1 1.60835762 1.60835762 1.60835762 1 Y Y3 1 4.82507286 4.82507286 4.82507286 1 [/CIF]
LiRu2Y
F-43m
216
cubic
-43m
7,433.243353
false
[CIF] data_Sr2MgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87345484 _cell_length_b 6.87345484 _cell_length_c 6.87345484 _cell_angle_alpha 148.06147902 _cell_angle_beta 133.60316620 _cell_angle_gamma 57.43365945 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2MgPt _chemical_formula_sum 'Sr2 Mg1 Pt1' _cell_volume 123.45713971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.88657470 1 Pt Pt1 1 1.89103585 -0.00000000 2.79734351 1 Sr Sr2 1 0.00000000 -0.00000000 5.36991750 1 Sr Sr3 1 -0.00000000 2.70756737 3.00227374 1 [/CIF]
MgPtSr2
Imm2
44
orthorhombic
mm2
5,307.893196
false
[CIF] data_Na2TcNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64378522 _cell_length_b 4.64378522 _cell_length_c 4.64378522 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2TcNi _chemical_formula_sum 'Na2 Tc1 Ni1' _cell_volume 70.81110593 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64182601 1.64182601 1.64182601 1 Na Na1 1 4.92547803 4.92547803 4.92547803 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 3.28365202 3.28365202 3.28365202 1 [/CIF]
Na2NiTc
Fm-3m
225
cubic
m-3m
4,773.984367
false
[CIF] data_Li2SnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41733583 _cell_length_b 4.41733583 _cell_length_c 4.41733583 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2SnPt _chemical_formula_sum 'Li2 Sn1 Pt1' _cell_volume 60.94895390 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.68529218 4.68529218 4.68529218 1 Li Li1 1 1.56176406 1.56176406 1.56176406 1 Pt Pt2 1 3.12352812 3.12352812 3.12352812 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Li2PtSn
Fm-3m
225
cubic
m-3m
8,927.450996
false
[CIF] data_Mn2AlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99886721 _cell_length_b 2.99886721 _cell_length_c 5.90525785 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2AlPt _chemical_formula_sum 'Mn2 Al1 Pt1' _cell_volume 53.10719173 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.49476912 1 Mn Mn1 1 1.49943360 1.49943360 0.05992780 1 Mn Mn2 1 0.00000000 0.00000000 1.31921293 1 Pt Pt3 1 1.49943360 1.49943360 2.98397687 1 [/CIF]
AlMn2Pt
P4mm
99
tetragonal
4mm
10,379.04706
false
[CIF] data_V2BPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09913659 _cell_length_b 4.09913659 _cell_length_c 4.09913659 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2BPd _chemical_formula_sum 'V2 B1 Pd1' _cell_volume 48.70372428 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.34779092 4.34779092 4.34779092 1 V V2 1 2.89852728 2.89852728 2.89852728 1 V V3 1 1.44926364 1.44926364 1.44926364 1 [/CIF]
BPdV2
F-43m
216
cubic
-43m
7,470.626988
false
[CIF] data_W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74749629 _cell_length_b 2.74749629 _cell_length_c 2.74749629 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural W _chemical_formula_sum W1 _cell_volume 15.96575465 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 [/CIF]
W
Im-3m
229
cubic
m-3m
19,120.518178
false
[CIF] data_KGaRe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34666391 _cell_length_b 5.34666391 _cell_length_c 5.34666391 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGaRe4 _chemical_formula_sum 'K1 Ga1 Re4' _cell_volume 108.07709405 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.67099347 5.67099347 5.67099347 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 4.72325162 4.72325162 2.83807300 1 Re Re3 1 4.72325162 2.83807300 4.72325162 1 Re Re4 1 2.83807300 4.72325162 4.72325162 1 Re Re5 1 2.83807300 2.83807300 2.83807300 1 [/CIF]
GaKRe4
F-43m
216
cubic
-43m
13,115.804272
false
[CIF] data_Ti2PtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03771605 _cell_length_b 5.03771605 _cell_length_c 5.03771605 _cell_angle_alpha 133.96358458 _cell_angle_beta 133.96358458 _cell_angle_gamma 67.14489135 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2PtAu _chemical_formula_sum 'Ti2 Pt1 Au1' _cell_volume 65.14928945 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96986602 0.00000000 2.09868046 1 Pt Pt1 1 0.00000000 0.00000000 4.19736092 1 Ti Ti2 1 0.00000000 1.96986602 2.09868046 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuPtTi2
I-4m2
119
tetragonal
-42m
12,432.757744
false
[CIF] data_ReGe2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61321738 _cell_length_b 4.61321738 _cell_length_c 4.92020776 _cell_angle_alpha 95.38654761 _cell_angle_beta 95.38654761 _cell_angle_gamma 40.92235356 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReGe2As _chemical_formula_sum 'Re1 Ge2 As1' _cell_volume 68.24411600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 1.61297694 0.00000000 3.46468765 1 Ge Ge2 1 6.53837020 -0.00000000 1.43076025 1 Re Re3 1 4.07567357 0.00000000 2.44772395 1 [/CIF]
AsGe2Re
C2/m
12
monoclinic
2/m
9,888.872432
false
[CIF] data_NaTaAgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67803013 _cell_length_b 4.67803013 _cell_length_c 4.67803013 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTaAgW _chemical_formula_sum 'Na1 Ta1 Ag1 W1' _cell_volume 72.38924501 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.96180025 4.96180025 4.96180025 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 3.30786683 3.30786683 3.30786683 1 W W3 1 1.65393342 1.65393342 1.65393342 1 [/CIF]
AgNaTaW
F-43m
216
cubic
-43m
11,369.635031
false
[CIF] data_Ca2PbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64376545 _cell_length_b 3.64376545 _cell_length_c 8.14274428 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2PbAu _chemical_formula_sum 'Ca2 Pb1 Au1' _cell_volume 108.11143285 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Ca Ca1 1 1.82188273 1.82188273 1.80751359 1 Ca Ca2 1 1.82188273 1.82188273 6.33523069 1 Pb Pb3 1 0.00000000 0.00000000 4.07137214 1 [/CIF]
AuCa2Pb
P4/mmm
123
tetragonal
4/mmm
7,438.95928
false
[CIF] data_K2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96800110 _cell_length_b 5.96800110 _cell_length_c 3.83802109 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2Be _chemical_formula_sum 'K2 Be1' _cell_volume 136.69893967 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 0.00000000 2.98400055 1.91901055 1 K K2 1 2.98400055 0.00000000 1.91901055 1 [/CIF]
BeK2
P4/mmm
123
tetragonal
4/mmm
1,059.361468
false
[CIF] data_BaSn2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48860512 _cell_length_b 6.48860512 _cell_length_c 6.48860512 _cell_angle_alpha 145.16384777 _cell_angle_beta 129.29489061 _cell_angle_gamma 62.99290684 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSn2As _chemical_formula_sum 'Ba1 Sn2 As1' _cell_volume 119.42551541 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 0.00000000 -0.00000000 5.53265518 1 Sn Sn2 1 1.94231092 0.00000000 2.28116142 1 Sn Sn3 1 0.00000000 2.77833607 3.25149376 1 [/CIF]
AsBaSn2
Immm
71
orthorhombic
mmm
6,252.368053
false
[CIF] data_YHfMnV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66218083 _cell_length_b 4.66218083 _cell_length_c 4.66218083 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHfMnV _chemical_formula_sum 'Y1 Hf1 Mn1 V1' _cell_volume 71.65596434 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.94498952 4.94498952 4.94498952 1 Mn Mn1 1 1.64832984 1.64832984 1.64832984 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 3.29665968 3.29665968 3.29665968 1 [/CIF]
HfMnVY
F-43m
216
cubic
-43m
8,650.199348
false
[CIF] data_ZrOsO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93453161 _cell_length_b 3.93453161 _cell_length_c 3.93453161 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrOsO3 _chemical_formula_sum 'Zr1 Os1 O3' _cell_volume 60.90867000 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96726581 1.96726581 1 O O1 1 1.96726581 0.00000000 1.96726581 1 O O2 1 1.96726581 1.96726581 0.00000000 1 Os Os3 1 1.96726581 1.96726581 1.96726581 1 Zr Zr4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
O3OsZr
Pm-3m
221
cubic
m-3m
8,981.779584
false
[CIF] data_AlCrCoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17298038 _cell_length_b 4.17298038 _cell_length_c 4.17298038 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCrCoPd _chemical_formula_sum 'Al1 Cr1 Co1 Pd1' _cell_volume 51.38354105 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 4.42611408 4.42611408 4.42611408 1 Co Co2 1 2.95074272 2.95074272 2.95074272 1 Pd Pd3 1 1.47537136 1.47537136 1.47537136 1 [/CIF]
AlCoCrPd
F-43m
216
cubic
-43m
7,895.930995
false
[CIF] data_SrBe2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00378723 _cell_length_b 5.00378723 _cell_length_c 5.00378723 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBe2Pb _chemical_formula_sum 'Sr1 Be2 Pb1' _cell_volume 88.58934787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76910594 1.76910594 1.76910594 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 5.30731782 5.30731782 5.30731782 1 Sr Sr3 1 3.53821188 3.53821188 3.53821188 1 [/CIF]
Be2PbSr
F-43m
216
cubic
-43m
5,864.026552
false
[CIF] data_MnTlZnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70518540 _cell_length_b 4.70518540 _cell_length_c 4.70518540 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTlZnAu _chemical_formula_sum 'Mn1 Tl1 Zn1 Au1' _cell_volume 73.65720299 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.32706850 3.32706850 3.32706850 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 4.99060275 4.99060275 4.99060275 1 Zn Zn3 1 1.66353425 1.66353425 1.66353425 1 [/CIF]
AuMnTlZn
F-43m
216
cubic
-43m
11,760.559943
false
[CIF] data_HfZrMnTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81894139 _cell_length_b 4.81894139 _cell_length_c 4.81894139 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrMnTe _chemical_formula_sum 'Hf1 Zr1 Mn1 Te1' _cell_volume 79.12977582 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Te Te0 1 5.11125920 5.11125920 5.11125920 1 Zr Zr1 1 3.40750614 3.40750614 3.40750614 1 Hf Hf2 1 1.70375307 1.70375307 1.70375307 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfMnTeZr
F-43m
216
cubic
-43m
9,490.513286
false
[CIF] data_Na2MnRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.53251072 _cell_length_b 2.53251072 _cell_length_c 10.52208774 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2MnRe _chemical_formula_sum 'Na2 Mn1 Re1' _cell_volume 67.48457290 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 1.26625536 1.26625536 2.61424868 1 Na Na2 1 1.26625536 1.26625536 7.90783906 1 Re Re3 1 0.00000000 0.00000000 5.26104387 1 [/CIF]
MnNa2Re
P4/mmm
123
tetragonal
4/mmm
7,065.045646
false
[CIF] data_ZnCr2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05683199 _cell_length_b 3.05412844 _cell_length_c 7.64917806 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.05967705 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCr2Bi _chemical_formula_sum 'Zn1 Cr2 Bi1' _cell_volume 71.40018825 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.37195531 1.52706422 6.15934683 1 Cr Cr1 1 2.99836643 0.00000000 0.52406577 1 Cr Cr2 1 1.53284959 1.52706422 1.62004024 1 Zn Zn3 1 -0.00170083 0.00000000 3.16835188 1 [/CIF]
BiCr2Zn
Pm
6
monoclinic
m
8,799.266341
false
[CIF] data_ScReB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11816896 _cell_length_b 5.11816896 _cell_length_c 5.11816896 _cell_angle_alpha 145.70209846 _cell_angle_beta 145.70209846 _cell_angle_gamma 49.28945935 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScReB _chemical_formula_sum 'Sc1 Re1 B1' _cell_volume 42.37868103 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.86278400 1 Re Re1 1 0.00000000 -0.00000000 3.54578441 1 Sc Sc2 1 -0.00000000 0.00000000 6.19926879 1 [/CIF]
BReSc
I4mm
107
tetragonal
4mm
9,481.350627
false
[CIF] data_KNb2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70212005 _cell_length_b 4.70212005 _cell_length_c 4.70212005 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNb2Si _chemical_formula_sum 'K1 Nb2 Si1' _cell_volume 73.51333741 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 3.32490097 3.32490097 3.32490097 1 Nb Nb1 1 1.66245048 1.66245048 1.66245048 1 Nb Nb2 1 4.98735146 4.98735146 4.98735146 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
KNb2Si
Fm-3m
225
cubic
m-3m
5,714.754443
false
[CIF] data_ZrRh2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54967457 _cell_length_b 4.54967457 _cell_length_c 4.54967457 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrRh2W _chemical_formula_sum 'Zr1 Rh2 W1' _cell_volume 66.59260472 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 4.82565861 4.82565861 4.82565861 1 Rh Rh1 1 1.60855287 1.60855287 1.60855287 1 W W2 1 3.21710574 3.21710574 3.21710574 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Rh2WZr
Fm-3m
225
cubic
m-3m
11,990.997004
false
[CIF] data_MnZnTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72599471 _cell_length_b 4.72599471 _cell_length_c 4.72599471 _cell_angle_alpha 133.88955554 _cell_angle_beta 133.88955554 _cell_angle_gamma 67.26056326 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnZnTc2 _chemical_formula_sum 'Mn1 Zn1 Tc2' _cell_volume 53.91587178 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 1.85078525 -0.00000000 1.96749930 1 Tc Tc2 1 -0.00000000 1.85078525 1.96749930 1 Zn Zn3 1 0.00000000 -0.00000000 3.93499859 1 [/CIF]
MnTc2Zn
I4/mmm
139
tetragonal
4/mmm
9,798.005945
false
[CIF] data_Y4TcB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92421363 _cell_length_b 5.92421363 _cell_length_c 5.92421363 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y4TcB _chemical_formula_sum 'Y4 Tc1 B1' _cell_volume 147.02024254 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 2.09452581 2.09452581 2.09452581 1 Y Y2 1 3.14794568 3.14794568 5.23015758 1 Y Y3 1 3.14794568 5.23015758 3.14794568 1 Y Y4 1 5.23015758 3.14794568 3.14794568 1 Y Y5 1 5.23015758 5.23015758 5.23015758 1 [/CIF]
BTcY4
F-43m
216
cubic
-43m
5,255.849346
false
[CIF] data_GaTcSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01501277 _cell_length_b 6.01501277 _cell_length_c 6.01501277 _cell_angle_alpha 150.46351462 _cell_angle_beta 150.46351462 _cell_angle_gamma 42.26143710 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaTcSe _chemical_formula_sum 'Ga1 Tc1 Se1' _cell_volume 52.76099076 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.92872425 1 Se Se1 1 -0.00000000 0.00000000 7.88056026 1 Tc Tc2 1 0.00000000 -0.00000000 3.63297806 1 [/CIF]
GaSeTc
I4mm
107
tetragonal
4mm
7,792.339248
false
[CIF] data_BaLa2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.23246392 _cell_length_b 7.23246392 _cell_length_c 7.23246392 _cell_angle_alpha 148.80608597 _cell_angle_beta 131.12548057 _cell_angle_gamma 59.12748436 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLa2P _chemical_formula_sum 'Ba1 La2 P1' _cell_volume 146.40772411 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.29085014 1 La La1 1 0.00000000 2.99204547 4.12570447 1 La La2 1 1.94458293 0.00000000 2.16514567 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaLa2P
Immm
71
orthorhombic
mmm
5,059.748368
false
[CIF] data_V2CoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.63638161 _cell_length_b 2.63638161 _cell_length_c 7.43742118 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2CoPd _chemical_formula_sum 'V2 Co1 Pd1' _cell_volume 51.69385536 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 0.00000000 0.00000000 3.71871059 1 V V2 1 1.31819080 1.31819080 5.73483140 1 V V3 1 1.31819080 1.31819080 1.70258978 1 [/CIF]
CoPdV2
P4/mmm
123
tetragonal
4/mmm
8,584.311205
false
[CIF] data_LaGaSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08661309 _cell_length_b 6.08661309 _cell_length_c 6.08661309 _cell_angle_alpha 143.42607551 _cell_angle_beta 143.42607551 _cell_angle_gamma 52.68638043 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGaSb _chemical_formula_sum 'La1 Ga1 Sb1' _cell_volume 79.58100320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.27963769 1 La La1 1 -0.00000000 0.00000000 3.64578002 1 Sb Sb2 1 0.00000000 0.00000000 6.98364551 1 [/CIF]
GaLaSb
I4mm
107
tetragonal
4mm
6,893.893512
false
[CIF] data_YMgFeRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60197251 _cell_length_b 4.60197251 _cell_length_c 4.60197251 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMgFeRe _chemical_formula_sum 'Y1 Mg1 Fe1 Re1' _cell_volume 68.91552404 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62704299 1.62704299 1.62704299 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 3.25408597 3.25408597 3.25408597 1 Y Y3 1 4.88112896 4.88112896 4.88112896 1 [/CIF]
FeMgReY
F-43m
216
cubic
-43m
8,560.158971
false
[CIF] data_Nb2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41007996 _cell_length_b 4.41007996 _cell_length_c 2.66776932 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2B _chemical_formula_sum 'Nb2 B1' _cell_volume 44.93366389 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 -0.00000000 2.54616085 1.33388466 1 Nb Nb2 1 2.20503998 1.27308043 1.33388466 1 [/CIF]
B2Nb4
P6/mmm
191
hexagonal
6/mmm
7,266.298958
false
[CIF] data_KYBe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13672404 _cell_length_b 3.13672404 _cell_length_c 9.24258963 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KYBe2 _chemical_formula_sum 'K1 Y1 Be2' _cell_volume 90.93818784 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.65097620 1 Be Be1 1 1.56836202 1.56836202 1.35042719 1 K K2 1 0.00000000 0.00000000 4.07959292 1 Y Y3 1 1.56836202 1.56836202 7.78288823 1 [/CIF]
Be2KY
P4mm
99
tetragonal
4mm
2,666.493121
false
[CIF] data_GeRh2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91412105 _cell_length_b 2.91412105 _cell_length_c 8.63755362 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeRh2Cl _chemical_formula_sum 'Ge1 Rh2 Cl1' _cell_volume 73.35098198 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.62620040 1 Ge Ge1 1 1.45706052 1.45706052 7.12124205 1 Rh Rh2 1 0.00000000 0.00000000 0.18069944 1 Rh Rh3 1 1.45706052 1.45706052 2.02818854 1 [/CIF]
ClGeRh2
P4mm
99
tetragonal
4mm
7,106.411419
false
[CIF] data_CaRu2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46351168 _cell_length_b 6.46351168 _cell_length_c 3.61382324 _cell_angle_alpha 99.35322654 _cell_angle_beta 99.35322654 _cell_angle_gamma 32.47076565 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaRu2Cl _chemical_formula_sum 'Ca1 Ru2 Cl1' _cell_volume 79.88399341 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.89989723 0.00000000 1.78083712 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 9.15768718 0.00000000 0.93148594 1 Ru Ru3 1 2.64210728 0.00000000 2.63018829 1 [/CIF]
CaClRu2
C2/m
12
monoclinic
2/m
5,771.91404
false
[CIF] data_ZrMnBeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45021229 _cell_length_b 4.45021229 _cell_length_c 4.45021229 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMnBeAu _chemical_formula_sum 'Zr1 Mn1 Be1 Au1' _cell_volume 62.31996336 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.14677529 3.14677529 3.14677529 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 4.72016293 4.72016293 4.72016293 1 Zr Zr3 1 1.57338764 1.57338764 1.57338764 1 [/CIF]
AuBeMnZr
F-43m
216
cubic
-43m
9,382.925104
false
[CIF] data_ZnHg2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07140496 _cell_length_b 3.07140496 _cell_length_c 8.33982819 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnHg2B _chemical_formula_sum 'Zn1 Hg2 B1' _cell_volume 78.67400632 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 4.81531939 1 Hg Hg1 1 1.53570248 1.53570248 8.18304109 1 Hg Hg2 1 0.00000000 0.00000000 2.49697216 1 Zn Zn3 1 1.53570248 1.53570248 5.35423783 1 [/CIF]
BHg2Zn
P4mm
99
tetragonal
4mm
10,075.668342
false
[CIF] data_CuSnPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23883398 _cell_length_b 5.23883398 _cell_length_c 5.23883398 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSnPb2 _chemical_formula_sum 'Cu1 Sn1 Pb2' _cell_volume 101.66908347 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 5.55662255 5.55662255 5.55662255 1 Pb Pb2 1 1.85220752 1.85220752 1.85220752 1 Sn Sn3 1 3.70441503 3.70441503 3.70441503 1 [/CIF]
CuPb2Sn
Fm-3m
225
cubic
m-3m
9,745.052906
false
[CIF] data_LaYbS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.17457781 _cell_length_b 7.17457781 _cell_length_c 8.94346642 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 147.26272505 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaYbS3 _chemical_formula_sum 'La2 Yb2 S6' _cell_volume 248.95758381 _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 La La0 1 2.02191301 -3.39236298 6.70759982 1 La La1 1 2.02191301 3.39236298 2.23586661 1 S S2 1 2.02191301 5.43760502 6.70759982 1 S S3 1 2.02191301 1.91369939 8.20394120 1 S S4 1 2.02191301 -1.91369939 0.73952522 1 S S5 1 2.02191301 -5.43760502 2.23586661 1 S S6 1 2.02191301 -1.91369939 3.73220799 1 S S7 1 2.02191301 1.91369939 5.21125843 1 Yb Yb8 1 0.00000000 0.00000000 0.00000000 1 Yb Yb9 1 0.00000000 0.00000000 4.47173321 1 [/CIF]
La2S6Yb2
Cmcm
63
orthorhombic
mmm
5,444.754341
false
[CIF] data_K2MoAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36365096 _cell_length_b 6.36365096 _cell_length_c 6.36365096 _cell_angle_alpha 141.33065891 _cell_angle_beta 141.33065891 _cell_angle_gamma 55.83834546 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2MoAs _chemical_formula_sum 'K2 Mo1 As1' _cell_volume 99.84339495 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 K K1 1 2.10691218 -0.00000000 2.81148963 1 K K2 1 -0.00000000 2.10691218 2.81148963 1 Mo Mo3 1 0.00000000 -0.00000000 5.62297925 1 [/CIF]
AsK2Mo
I4/mmm
139
tetragonal
4/mmm
4,142.528226
false
[CIF] data_Ba2TlRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85596475 _cell_length_b 3.85596475 _cell_length_c 9.49598911 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TlRe _chemical_formula_sum 'Ba2 Tl1 Re1' _cell_volume 141.19077368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.62177211 1 Ba Ba1 1 1.92798237 1.92798237 3.17566672 1 Re Re2 1 0.00000000 0.00000000 5.52037314 1 Tl Tl3 1 1.92798237 1.92798237 6.42216089 1 [/CIF]
Ba2ReTl
P4mm
99
tetragonal
4mm
7,823.95555
false
[CIF] data_Be2SbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71719404 _cell_length_b 4.71719404 _cell_length_c 4.71719404 _cell_angle_alpha 128.22893952 _cell_angle_beta 128.22893952 _cell_angle_gamma 76.25444767 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2SbAu _chemical_formula_sum 'Be2 Sb1 Au1' _cell_volume 62.95136164 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 3.71074178 1 Be Be1 1 -0.00000000 2.05940708 1.85537089 1 Be Be2 1 2.05940708 -0.00000000 1.85537089 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBe2Sb
I4/mmm
139
tetragonal
4/mmm
8,882.85917
false
[CIF] data_GaNi6W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23827670 _cell_length_b 6.23827670 _cell_length_c 10.18918310 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.44199676 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaNi6W _chemical_formula_sum 'Ga4 Ni24 W4' _cell_volume 373.91305337 _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 3.60296960 -2.53739876 0.00000000 1 Ga Ga1 1 3.60296960 2.53739876 0.00000000 1 Ga Ga2 1 0.00000000 0.00000000 7.66938375 1 Ga Ga3 1 0.00000000 0.00000000 2.51979935 1 Ni Ni4 1 3.60296960 -2.53505290 7.62211664 1 Ni Ni5 1 1.81337100 -1.26120412 8.90727403 1 Ni Ni6 1 5.39256820 1.26120412 8.90727403 1 Ni Ni7 1 3.60296960 2.53505290 7.62211664 1 Ni Ni8 1 5.39256820 -1.26120412 8.90727403 1 Ni Ni9 1 1.81337100 1.26120412 8.90727403 1 Ni Ni10 1 0.00000000 0.00000000 5.09459155 1 Ni Ni11 1 5.39652852 1.27764522 6.36218747 1 Ni Ni12 1 5.39652852 -1.27764522 6.36218747 1 Ni Ni13 1 3.60296960 -2.53505290 2.56706646 1 Ni Ni14 1 1.80941068 -1.27764522 3.82699563 1 Ni Ni15 1 5.39652852 1.27764522 3.82699563 1 Ni Ni16 1 3.60296960 2.53505290 2.56706646 1 Ni Ni17 1 5.39652852 -1.27764522 3.82699563 1 Ni Ni18 1 1.80941068 1.27764522 3.82699563 1 Ni Ni19 1 0.00000000 0.00000000 0.00000000 1 Ni Ni20 1 5.39256820 1.26120412 1.28190907 1 Ni Ni21 1 5.39256820 -1.26120412 1.28190907 1 Ni Ni22 1 3.60296960 0.00000000 5.09459155 1 Ni Ni23 1 1.80941068 1.27764522 6.36218747 1 Ni Ni24 1 1.80941068 -1.27764522 6.36218747 1 Ni Ni25 1 3.60296960 0.00000000 0.00000000 1 Ni Ni26 1 1.81337100 1.26120412 1.28190907 1 Ni Ni27 1 1.81337100 -1.26120412 1.28190907 1 W W28 1 3.60296960 -2.50848739 5.09459155 1 W W29 1 3.60296960 2.50848739 5.09459155 1 W W30 1 3.60296960 0.00000000 7.70812160 1 W W31 1 3.60296960 0.00000000 2.48106150 1 [/CIF]
Ga4Ni24W4
Cmmm
65
orthorhombic
mmm
10,760.013433
false
[CIF] data_LiMnAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11464011 _cell_length_b 3.31693879 _cell_length_c 6.21524234 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMnAu2 _chemical_formula_sum 'Li1 Mn1 Au2' _cell_volume 64.21010740 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55732005 1.65846940 4.70847256 1 Au Au1 1 1.55732005 1.65846940 1.50676978 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Mn Mn3 1 0.00000000 0.00000000 3.10762117 1 [/CIF]
Au2LiMn
Pmmm
47
orthorhombic
mmm
11,787.769365
false
[CIF] data_ReAg2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48221008 _cell_length_b 4.48221008 _cell_length_c 4.48221008 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReAg2Rh _chemical_formula_sum 'Re1 Ag2 Rh1' _cell_volume 63.67392552 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.75410171 4.75410171 4.75410171 1 Ag Ag1 1 1.58470057 1.58470057 1.58470057 1 Re Re2 1 3.16940114 3.16940114 3.16940114 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2ReRh
Fm-3m
225
cubic
m-3m
13,165.849512
false
[CIF] data_V2SiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16883004 _cell_length_b 3.16883004 _cell_length_c 5.30486288 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2SiRu _chemical_formula_sum 'V2 Si1 Ru1' _cell_volume 53.26869479 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 0.00000000 0.00000000 2.65243144 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.58441502 1.58441502 1.21230493 1 V V3 1 1.58441502 1.58441502 4.09255795 1 [/CIF]
RuSiV2
P4/mmm
123
tetragonal
4/mmm
7,202.137328
false
[CIF] data_BaAl2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98186118 _cell_length_b 3.98186118 _cell_length_c 7.49910144 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAl2Bi _chemical_formula_sum 'Ba1 Al2 Bi1' _cell_volume 118.89989156 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.99093059 1.99093059 5.12454891 1 Al Al1 1 1.99093059 1.99093059 2.37455253 1 Ba Ba2 1 0.00000000 0.00000000 0.00000000 1 Bi Bi3 1 0.00000000 0.00000000 3.74955072 1 [/CIF]
Al2BaBi
P4/mmm
123
tetragonal
4/mmm
5,590.120864
false
[CIF] data_AlHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15150887 _cell_length_b 3.15150887 _cell_length_c 8.33772916 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlHg _chemical_formula_sum 'Al2 Hg2' _cell_volume 82.81039403 _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 Al Al0 1 1.57575443 0.00000000 5.02539433 1 Al Al1 1 0.00000000 1.57575443 3.31233483 1 Hg Hg2 1 1.57575443 0.00000000 1.25179097 1 Hg Hg3 1 0.00000000 1.57575443 7.08593819 1 [/CIF]
Al2Hg2
P4/nmm
129
tetragonal
4/mmm
9,126.666639
false
[CIF] data_BaMnBeRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64664002 _cell_length_b 4.64664002 _cell_length_c 4.64664002 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMnBeRe _chemical_formula_sum 'Ba1 Mn1 Be1 Re1' _cell_volume 70.94178122 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64283534 1.64283534 1.64283534 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 4.92850601 4.92850601 4.92850601 1 Re Re3 1 3.28567067 3.28567067 3.28567067 1 [/CIF]
BaBeMnRe
F-43m
216
cubic
-43m
9,069.869484
false
[CIF] data_ZrGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88346294 _cell_length_b 3.88346294 _cell_length_c 3.88346294 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGe _chemical_formula_sum 'Zr1 Ge1' _cell_volume 41.41355357 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Zr Zr1 1 2.74602298 2.74602298 2.74602298 1 [/CIF]
GeZr
Fm-3m
225
cubic
m-3m
6,570.374918
false
[CIF] data_Zr2NiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61830222 _cell_length_b 4.61830222 _cell_length_c 4.61830222 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2NiW _chemical_formula_sum 'Zr2 Ni1 W1' _cell_volume 69.65175312 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 1.63281641 1.63281641 1.63281641 1 Zr Zr2 1 3.26563282 3.26563282 3.26563282 1 Zr Zr3 1 4.89844923 4.89844923 4.89844923 1 [/CIF]
NiWZr2
F-43m
216
cubic
-43m
10,131.8084
false
[CIF] data_LiTl2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52561202 _cell_length_b 3.52561202 _cell_length_c 8.50750974 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTl2Sb _chemical_formula_sum 'Li1 Tl2 Sb1' _cell_volume 105.74783660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.41381592 1 Sb Sb1 1 1.76280601 1.76280601 5.96913427 1 Tl Tl2 1 0.00000000 0.00000000 8.37943114 1 Tl Tl3 1 1.76280601 1.76280601 2.50639302 1 [/CIF]
LiSbTl2
P4mm
99
tetragonal
4mm
8,439.756079
false
[CIF] data_Zn2MoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81746030 _cell_length_b 2.81746030 _cell_length_c 7.44393450 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2MoPd _chemical_formula_sum 'Zn2 Mo1 Pd1' _cell_volume 59.09056650 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 3.71485234 1 Pd Pd1 1 1.40873015 1.40873015 5.64463928 1 Zn Zn2 1 0.00000000 0.00000000 7.43557935 1 Zn Zn3 1 1.40873015 1.40873015 1.81476528 1 [/CIF]
MoPdZn2
P4mm
99
tetragonal
4mm
9,361.764786
false
[CIF] data_ZrNiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39155705 _cell_length_b 4.39155705 _cell_length_c 4.39155705 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNiTe _chemical_formula_sum 'Zr1 Ni1 Te1' _cell_volume 59.88810746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 4.65794965 4.65794965 4.65794965 1 Zr Zr2 1 1.55264988 1.55264988 1.55264988 1 [/CIF]
NiTeZr
F-43m
216
cubic
-43m
7,694.82463
false
[CIF] data_Zn2CoP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57433830 _cell_length_b 4.57433830 _cell_length_c 4.57433830 _cell_angle_alpha 132.04216433 _cell_angle_beta 132.04216433 _cell_angle_gamma 70.16244106 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CoP _chemical_formula_sum 'Zn2 Co1 P1' _cell_volume 51.74710210 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.85901325 1.87167775 1 P P1 1 -0.00000000 0.00000000 -0.00000000 1 Zn Zn2 1 1.85901325 0.00000000 1.87167775 1 Zn Zn3 1 0.00000000 0.00000000 3.74335549 1 [/CIF]
CoPZn2
I-4m2
119
tetragonal
-42m
7,081.094166
false
[CIF] data_AlHg2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83138398 _cell_length_b 4.83138398 _cell_length_c 3.32416202 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.57746786 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlHg2Ru _chemical_formula_sum 'Al1 Hg2 Ru1' _cell_volume 73.10775730 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 1.39287105 1.97369655 1.66208101 1 Hg Hg2 1 1.39287105 -1.97369654 1.66208101 1 Ru Ru3 1 2.78574209 -0.00000000 0.00000000 1 [/CIF]
AlHg2Ru
Cmmm
65
orthorhombic
mmm
12,020.744139
false
[CIF] data_TcAgHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.43070644 _cell_length_b 7.30010500 _cell_length_c 2.79106300 _cell_angle_alpha 81.72324959 _cell_angle_beta 76.45626390 _cell_angle_gamma 21.82048651 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcAgHg _chemical_formula_sum 'Tc1 Ag1 Hg1' _cell_volume 53.56858458 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71262482 2.20384866 14.11855971 1 Hg Hg1 1 1.71262482 2.20384866 9.50700492 1 Tc Tc2 1 1.71262482 2.20384866 4.75991034 1 [/CIF]
AgHgTc
Fmm2
42
orthorhombic
mm2
12,627.634384
false
[CIF] data_AlIrSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58399388 _cell_length_b 4.58399388 _cell_length_c 4.58399388 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlIrSe2 _chemical_formula_sum 'Al1 Ir1 Se2' _cell_volume 68.11097397 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62068658 1.62068658 1.62068658 1 Se Se2 1 3.24137316 3.24137316 3.24137316 1 Se Se3 1 4.86205974 4.86205974 4.86205974 1 [/CIF]
AlIrSe2
F-43m
216
cubic
-43m
9,194.1141
false
[CIF] data_Bi2OsCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24350490 _cell_length_b 5.24350490 _cell_length_c 3.24779494 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2OsCl _chemical_formula_sum 'Bi2 Os1 Cl1' _cell_volume 89.29599014 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.62175245 0.00000000 1.62389747 1 Bi Bi1 1 0.00000000 2.62175245 1.62389747 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 2.62175245 2.62175245 0.00000000 1 [/CIF]
Bi2ClOs
P4/mmm
123
tetragonal
4/mmm
11,969.134036
false
[CIF] data_TcHgIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82476718 _cell_length_b 3.85334869 _cell_length_c 5.85859353 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcHgIr2 _chemical_formula_sum 'Tc1 Hg1 Ir2' _cell_volume 63.76969454 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 2.92929677 1 Ir Ir1 1 1.41238359 1.92667434 4.54039142 1 Ir Ir2 1 1.41238359 1.92667434 1.31820212 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgIr2Tc
Pmmm
47
orthorhombic
mmm
17,809.773496
false
[CIF] data_Rb15Hg16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.33773709 _cell_length_b 15.33773709 _cell_length_c 15.33773709 _cell_angle_alpha 111.73112139 _cell_angle_beta 111.73112139 _cell_angle_gamma 105.04023221 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb15Hg16 _chemical_formula_sum 'Rb30 Hg32' _cell_volume 2765.21835338 _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 Rb Rb0 1 3.97893595 3.88197438 5.36157155 1 Rb Rb1 1 8.94279871 -4.36660151 8.54317135 1 Rb Rb2 1 3.88197438 4.62763005 10.02794655 1 Rb Rb3 1 4.23996449 8.27033329 3.87679635 1 Rb Rb4 1 8.18676353 4.65874278 4.40656057 1 Rb Rb5 1 -0.41980247 4.65874278 9.59256443 1 Rb Rb6 1 4.65874278 9.02636847 -4.40656057 1 Rb Rb7 1 0.00000000 -0.00000000 4.55104088 1 Rb Rb8 1 0.00000000 0.00000000 0.00000000 1 Rb Rb9 1 4.65874278 0.41980247 9.07293557 1 Rb Rb10 1 -0.33623271 4.36660151 5.45595365 1 Rb Rb11 1 0.00000000 -0.00000000 14.11445912 1 Rb Rb12 1 4.62763005 -3.88197438 8.63755345 1 Rb Rb13 1 4.62763005 4.72459162 -3.97117845 1 Rb Rb14 1 3.97893595 12.48854038 -0.69519655 1 Rb Rb15 1 9.02636847 3.94782322 0.25981443 1 Rb Rb16 1 -0.00000000 8.60656600 9.21741588 1 Rb Rb17 1 0.41980247 3.94782322 13.73931057 1 Rb Rb18 1 4.23996449 -0.33623271 0.78957865 1 Rb Rb19 1 -3.88197438 3.97893595 13.30392845 1 Rb Rb20 1 8.27033329 4.36660151 8.54317135 1 Rb Rb21 1 -0.00000000 8.60656600 0.11533412 1 Rb Rb22 1 3.94782322 8.18676353 -0.25981443 1 Rb Rb23 1 -0.00000000 8.60656600 4.66637500 1 Rb Rb24 1 12.48854038 4.62763005 3.97117845 1 Rb Rb25 1 4.72459162 3.97893595 0.69519655 1 Rb Rb26 1 4.36660151 0.33623271 13.20954635 1 Rb Rb27 1 3.94782322 -0.41980247 4.92618943 1 Rb Rb28 1 8.94279871 4.23996449 -3.87679635 1 Rb Rb29 1 12.97316751 0.33623271 0.78957865 1 Hg Hg30 1 2.70871009 7.06955380 7.14491075 1 Hg Hg31 1 10.02654611 1.58452044 3.17326566 1 Hg Hg32 1 7.18658589 7.02204556 1.49310934 1 Hg Hg33 1 1.63083237 14.40363041 2.28442388 1 Hg Hg34 1 1.41998011 1.58452044 10.82585934 1 Hg Hg35 1 5.89785591 10.14357820 6.85421425 1 Hg Hg36 1 1.53701220 2.70871009 2.47853575 1 Hg Hg37 1 -1.53701220 5.89785591 2.18783925 1 Hg Hg38 1 -5.89785591 7.06955380 6.85421425 1 Hg Hg39 1 10.31624312 -1.48952116 3.05259320 1 Hg Hg40 1 5.79706441 6.97573363 7.04832612 1 Hg Hg41 1 -1.63083237 2.80950159 2.28442388 1 Hg Hg42 1 7.11704484 -1.70967712 6.28015680 1 Hg Hg43 1 1.70967712 -1.48952116 10.94653180 1 Hg Hg44 1 -2.70871009 10.14357820 7.14491075 1 Hg Hg45 1 7.02204556 1.41998011 6.15948434 1 Hg Hg46 1 1.48952116 1.70967712 7.71896820 1 Hg Hg47 1 10.09608716 1.70967712 6.28015680 1 Hg Hg48 1 7.18658589 -1.58452044 3.17326566 1 Hg Hg49 1 -5.79706441 10.23739837 7.04832612 1 Hg Hg50 1 6.89688888 1.48952116 3.05259320 1 Hg Hg51 1 2.80950159 10.23739837 6.95079888 1 Hg Hg52 1 1.58452044 -1.41998011 7.83964066 1 Hg Hg53 1 7.11704484 6.89688888 -1.61378180 1 Hg Hg54 1 1.53701220 11.31527609 2.18783925 1 Hg Hg55 1 7.02204556 10.02654611 -1.49310934 1 Hg Hg56 1 1.63083237 5.79706441 2.38195112 1 Hg Hg57 1 -2.80950159 6.97573363 6.95079888 1 Hg Hg58 1 10.19108644 -1.41998011 6.15948434 1 Hg Hg59 1 6.89688888 10.09608716 1.61378180 1 Hg Hg60 1 -1.53701220 14.50442191 2.47853575 1 Hg Hg61 1 -1.63083237 11.41606759 2.38195112 1 [/CIF]
Hg32Rb30
I4_1/a
88
tetragonal
4/m
5,394.322517
true
[CIF] data_BaTiNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29588354 _cell_length_b 3.29588354 _cell_length_c 7.38137939 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTiNi2 _chemical_formula_sum 'Ba1 Ti1 Ni2' _cell_volume 80.18280463 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64794177 1.64794177 5.76354475 1 Ni Ni1 1 0.00000000 0.00000000 0.61576419 1 Ni Ni2 1 1.64794177 1.64794177 1.87747584 1 Ti Ti3 1 0.00000000 0.00000000 2.81528423 1 [/CIF]
BaNi2Ti
P4mm
99
tetragonal
4mm
6,266.521063
false
[CIF] data_MgBeIrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20223721 _cell_length_b 4.20223721 _cell_length_c 4.20223721 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBeIrOs _chemical_formula_sum 'Mg1 Be1 Ir1 Os1' _cell_volume 52.47188855 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 4.45714564 4.45714565 4.45714565 1 Mg Mg2 1 2.97143043 2.97143043 2.97143043 1 Os Os3 1 1.48571521 1.48571521 1.48571521 1 [/CIF]
BeIrMgOs
F-43m
216
cubic
-43m
13,157.381711
false
[CIF] data_SbSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61422547 _cell_length_b 3.61422547 _cell_length_c 3.61422547 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbSe _chemical_formula_sum 'Sb1 Se1' _cell_volume 47.21127468 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80711273 1.80711273 1.80711273 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SbSe
Pm-3m
221
cubic
m-3m
7,059.826359
false
[CIF] data_NbZnGaRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41660687 _cell_length_b 4.41660687 _cell_length_c 4.41660687 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbZnGaRu _chemical_formula_sum 'Nb1 Zn1 Ga1 Ru1' _cell_volume 60.91878517 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.68451900 4.68451900 4.68451901 1 Nb Nb1 1 3.12301267 3.12301267 3.12301267 1 Ru Ru2 1 1.56150633 1.56150633 1.56150633 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaNbRuZn
F-43m
216
cubic
-43m
8,970.125799
false
[CIF] data_CaYMgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96985184 _cell_length_b 4.96985184 _cell_length_c 4.96985184 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYMgOs _chemical_formula_sum 'Ca1 Y1 Mg1 Os1' _cell_volume 86.79912129 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 1.75710797 1.75710797 1.75710797 1 Mg Mg1 1 0.00000000 -0.00000000 0.00000000 1 Os Os2 1 5.27132391 5.27132391 5.27132391 1 Y Y3 1 3.51421594 3.51421594 3.51421594 1 [/CIF]
CaMgOsY
F-43m
216
cubic
-43m
6,571.800061
false
[CIF] data_SrCr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03756154 _cell_length_b 4.99738927 _cell_length_c 5.31444238 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCr3 _chemical_formula_sum 'Sr1 Cr3' _cell_volume 80.67258403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51878077 0.00000000 5.28181319 1 Cr Cr1 1 0.00000000 0.00000000 2.67349624 1 Cr Cr2 1 0.00000000 2.49869464 4.45560559 1 Sr Sr3 1 1.51878077 2.49869464 1.76093134 1 [/CIF]
Cr3Sr
Pmm2
25
orthorhombic
mm2
5,014.356537
false
[CIF] data_CaYbEr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74936562 _cell_length_b 5.74936562 _cell_length_c 5.74936562 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYbEr2 _chemical_formula_sum 'Ca1 Yb1 Er2' _cell_volume 134.38314032 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Er Er1 1 6.09812313 6.09812313 6.09812313 1 Er Er2 1 2.03270771 2.03270771 2.03270771 1 Yb Yb3 1 4.06541542 4.06541542 4.06541542 1 [/CIF]
CaEr2Yb
Fm-3m
225
cubic
m-3m
6,767.174942
false
[CIF] data_PtO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84919780 _cell_length_b 2.84919780 _cell_length_c 7.04673503 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PtO _chemical_formula_sum 'Pt2 O2' _cell_volume 49.54088653 _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 O O0 1 1.42459890 0.82249256 3.88647751 1 O O1 1 0.00000000 1.64498512 0.36311000 1 Pt Pt2 1 1.42459890 0.82249256 5.80278751 1 Pt Pt3 1 0.00000000 1.64498512 2.27942000 1 [/CIF]
O2Pt2
P6_3mc
186
hexagonal
6mm
14,150.422776
false
[CIF] data_FeCoAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38496379 _cell_length_b 4.38496379 _cell_length_c 4.38496379 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCoAg2 _chemical_formula_sum 'Fe1 Co1 Ag2' _cell_volume 59.61877331 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55031882 1.55031882 1.55031882 1 Ag Ag1 1 4.65095645 4.65095645 4.65095645 1 Co Co2 1 3.10063763 3.10063763 3.10063763 1 Fe Fe3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
Ag2CoFe
Fm-3m
225
cubic
m-3m
9,205.697578
false
[CIF] data_HfW3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21689224 _cell_length_b 3.21689224 _cell_length_c 6.64768326 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfW3 _chemical_formula_sum 'Hf1 W3' _cell_volume 68.79285692 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 0.00000000 0.00000000 3.32384163 1 W W2 1 1.60844612 1.60844612 1.76431648 1 W W3 1 1.60844612 1.60844612 4.88336678 1 [/CIF]
HfW3
P4/mmm
123
tetragonal
4/mmm
17,621.162694
false
[CIF] data_Hf2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86477366 _cell_length_b 6.86477366 _cell_length_c 6.48611447 _cell_angle_alpha 102.96611277 _cell_angle_beta 102.96611277 _cell_angle_gamma 26.74543378 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Mg _chemical_formula_sum 'Hf4 Mg2' _cell_volume 133.84664170 _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 12.20574697 -0.00000000 4.65445495 1 Hf Hf1 1 7.95966012 -0.00000000 3.62986104 1 Hf Hf2 1 3.90174665 -0.00000000 2.68140082 1 Hf Hf3 1 -0.34434020 -0.00000000 1.65680690 1 Mg Mg4 1 8.74859682 0.00000000 0.51645655 1 Mg Mg5 1 3.11280996 0.00000000 5.79480530 1 [/CIF]
Hf4Mg2
C2/m
12
monoclinic
2/m
9,460.735173
false
[CIF] data_BeV2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91432316 _cell_length_b 4.91432316 _cell_length_c 4.91432316 _cell_angle_alpha 133.82411246 _cell_angle_beta 133.82411246 _cell_angle_gamma 67.36285764 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeV2Pb _chemical_formula_sum 'Be1 V2 Pb1' _cell_volume 60.74835494 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 1.92712017 -0.00000000 2.04468750 1 V V2 1 0.00000000 -0.00000000 4.08937499 1 V V3 1 0.00000000 1.92712017 2.04468750 1 [/CIF]
BePbV2
I-4m2
119
tetragonal
-42m
8,695.041654
false
[CIF] data_ZnTc2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30463484 _cell_length_b 4.30463484 _cell_length_c 3.07989894 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnTc2As _chemical_formula_sum 'Zn1 Tc2 As1' _cell_volume 57.07016108 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15231742 2.15231742 0.00000000 1 Tc Tc1 1 2.15231742 0.00000000 1.53994947 1 Tc Tc2 1 0.00000000 2.15231742 1.53994947 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsTc2Zn
P4/mmm
123
tetragonal
4/mmm
9,837.95321
false
[CIF] data_W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73992514 _cell_length_b 2.73992514 _cell_length_c 4.86167413 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural W _chemical_formula_sum W2 _cell_volume 31.60777104 _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 W W0 1 0.00000000 1.58189652 1.21541853 1 W W1 1 1.36996257 0.79094826 3.64625560 1 [/CIF]
W2
P6_3/mmc
194
hexagonal
6/mmm
19,316.357472
false
[CIF] data_CoCuTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68224644 _cell_length_b 4.68224644 _cell_length_c 3.37870807 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoCuTe2 _chemical_formula_sum 'Co1 Cu1 Te2' _cell_volume 74.07287569 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 2.34112322 2.34112322 0.00000000 1 Te Te2 1 2.34112322 0.00000000 1.68935404 1 Te Te3 1 0.00000000 2.34112322 1.68935404 1 [/CIF]
CoCuTe2
P4/mmm
123
tetragonal
4/mmm
8,466.676258
false
[CIF] data_Hf(TlTe)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.87452011 _cell_length_b 9.87452011 _cell_length_c 9.87452011 _cell_angle_alpha 98.36522644 _cell_angle_beta 98.36522644 _cell_angle_gamma 98.36522644 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf(TlTe)4 _chemical_formula_sum 'Hf3 Tl12 Te12' _cell_volume 928.68892783 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 -0.00000000 0.00000000 3.67828095 1 Hf Hf1 1 -0.00000000 -0.00000000 10.72330769 1 Hf Hf2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 -2.41591776 -2.51255582 6.10212113 1 Tl Tl4 1 -0.96797828 3.34852406 6.10212113 1 Tl Tl5 1 3.38389604 -0.83596825 6.10212113 1 Tl Tl6 1 2.41591776 2.51255582 8.29946752 1 Tl Tl7 1 0.96797828 -3.34852406 8.29946752 1 Tl Tl8 1 -3.38389604 0.83596825 8.29946752 1 Tl Tl9 1 -3.69385386 -5.04024273 8.31179528 1 Tl Tl10 1 -2.51805131 5.71909264 8.31179528 1 Tl Tl11 1 6.21190517 -0.67884991 8.31179528 1 Tl Tl12 1 3.69385386 5.04024273 6.08979337 1 Tl Tl13 1 2.51805131 -5.71909264 6.08979337 1 Tl Tl14 1 -6.21190517 0.67884991 6.08979337 1 Te Te15 1 -2.46757117 0.57341978 5.01671179 1 Te Te16 1 1.73038169 1.85026943 5.01671179 1 Te Te17 1 0.73718948 -2.42368921 5.01671179 1 Te Te18 1 2.46757117 -0.57341978 9.38487685 1 Te Te19 1 -1.73038169 -1.85026943 9.38487685 1 Te Te20 1 -0.73718948 2.42368921 9.38487685 1 Te Te21 1 5.93964119 2.55435941 6.57891932 1 Te Te22 1 -0.75768046 -6.42105987 6.57891932 1 Te Te23 1 -5.18196073 3.86670046 6.57891932 1 Te Te24 1 -5.93964119 -2.55435941 7.82266932 1 Te Te25 1 0.75768046 6.42105987 7.82266932 1 Te Te26 1 5.18196073 -3.86670046 7.82266932 1 [/CIF]
Hf3Te12Tl12
R-3
148
trigonal
-3
8,080.665001
false
[CIF] data_AlTlGaBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26188457 _cell_length_b 5.26188457 _cell_length_c 5.26188457 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTlGaBi _chemical_formula_sum 'Al1 Tl1 Ga1 Bi1' _cell_volume 103.01701268 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86035713 1.86035713 1.86035713 1 Ga Ga2 1 3.72071426 3.72071426 3.72071426 1 Tl Tl3 1 5.58107139 5.58107139 5.58107139 1 [/CIF]
AlBiGaTl
F-43m
216
cubic
-43m
8,221.828752
false
[CIF] data_BaCuHgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12233870 _cell_length_b 5.12233870 _cell_length_c 5.12233870 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCuHgW _chemical_formula_sum 'Ba1 Cu1 Hg1 W1' _cell_volume 95.03637811 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81102022 1.81102022 1.81102022 1 Cu Cu1 1 0.00000000 -0.00000000 0.00000000 1 Hg Hg2 1 5.43306065 5.43306065 5.43306065 1 W W3 1 3.62204043 3.62204043 3.62204043 1 [/CIF]
BaCuHgW
F-43m
216
cubic
-43m
10,226.8049
false
[CIF] data_VAgRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80836936 _cell_length_b 2.80836936 _cell_length_c 7.59147391 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VAgRh2 _chemical_formula_sum 'V1 Ag1 Rh2' _cell_volume 59.87348737 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.79573696 1 Rh Rh1 1 1.40418468 1.40418468 5.93773782 1 Rh Rh2 1 1.40418468 1.40418468 1.65373609 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgRh2V
P4/mmm
123
tetragonal
4/mmm
10,112.772789
false
[CIF] data_CdBi2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13536191 _cell_length_b 5.13536191 _cell_length_c 5.13536191 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdBi2Rh _chemical_formula_sum 'Cd1 Bi2 Rh1' _cell_volume 95.76309387 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.81562462 1.81562462 1.81562462 1 Bi Bi1 1 3.63124923 3.63124923 3.63124923 1 Cd Cd2 1 5.44687385 5.44687385 5.44687385 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2CdRh
F-43m
216
cubic
-43m
10,981.074798
false
[CIF] data_Li2ZnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.34671519 _cell_length_b 9.34671519 _cell_length_c 9.34671519 _cell_angle_alpha 16.35319204 _cell_angle_beta 16.35319204 _cell_angle_gamma 16.35319204 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ZnOs _chemical_formula_sum 'Li2 Zn1 Os1' _cell_volume 56.43912035 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.84941084 1 Li Li1 1 -0.00000000 0.00000000 20.81002240 1 Os Os2 1 -0.00000000 -0.00000000 13.82971662 1 Zn Zn3 1 0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Li2OsZn
R-3m
166
trigonal
-3m
7,928.932832
false