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_Mg2VZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87920295 _cell_length_b 2.87920295 _cell_length_c 8.19409876 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2VZn _chemical_formula_sum 'Mg2 V1 Zn1' _cell_volume 67.92751879 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.43960147 1.43960147 6.14113647 1 Mg Mg1 1 1.43960147 1.43960147 2.05296229 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 4.09704938 1 [/CIF]
Mg2VZn
P4/mmm
123
tetragonal
4/mmm
4,031.874032
false
[CIF] data_HoZnSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36190869 _cell_length_b 4.36190869 _cell_length_c 9.84241699 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoZnSn2 _chemical_formula_sum 'Ho2 Zn2 Sn4' _cell_volume 187.26426086 _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 Ho Ho0 1 0.00000000 2.18095434 2.45965416 1 Ho Ho1 1 2.18095434 0.00000000 7.38276283 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 2.18095434 2.18095434 0.00000000 1 Sn Sn4 1 0.00000000 0.00000000 4.92120850 1 Sn Sn5 1 2.18095434 2.18095434 4.92120850 1 Sn Sn6 1 0.00000000 2.18095434 7.98563351 1 Sn Sn7 1 2.18095434 0.00000000 1.85678348 1 [/CIF]
Ho2Sn4Zn2
P4/nmm
129
tetragonal
4/mmm
8,295.063515
false
[CIF] data_NiAsIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56637949 _cell_length_b 4.56637949 _cell_length_c 4.65629231 _cell_angle_alpha 100.34097375 _cell_angle_beta 100.34097375 _cell_angle_gamma 36.52716885 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiAsIr2 _chemical_formula_sum 'Ni1 As1 Ir2' _cell_volume 56.74779186 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51058914 -0.00000000 3.34059938 1 Ir Ir1 1 0.00097464 -0.00000000 0.01177105 1 Ir Ir2 1 6.28764236 -0.00000000 1.25509156 1 Ni Ni3 1 3.88958111 -0.00000000 2.25105879 1 [/CIF]
AsIr2Ni
Cm
8
monoclinic
m
15,159.014558
false
[CIF] data_BeAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93651802 _cell_length_b 2.93651802 _cell_length_c 11.98219406 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAg2 _chemical_formula_sum 'Be2 Ag4' _cell_volume 89.48130723 _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 1.46825901 0.84769973 4.77892328 1 Ag Ag1 1 -0.00000000 1.69539947 10.77002031 1 Ag Ag2 1 -0.00000000 1.69539947 7.20327078 1 Ag Ag3 1 1.46825901 0.84769973 1.21217375 1 Be Be4 1 1.46825901 0.84769973 8.98664555 1 Be Be5 1 -0.00000000 1.69539947 2.99554851 1 [/CIF]
Ag4Be2
P6_3/mmc
194
hexagonal
6/mmm
8,341.492976
false
[CIF] data_LiVGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47675097 _cell_length_b 4.47675097 _cell_length_c 5.40468929 _cell_angle_alpha 96.83019027 _cell_angle_beta 96.83019027 _cell_angle_gamma 34.79456249 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiVGa2 _chemical_formula_sum 'Li1 V1 Ga2' _cell_volume 61.32763930 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62714162 -0.00000000 3.98464922 1 Ga Ga1 1 6.24320056 0.00000000 1.37790238 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 3.93517109 0.00000000 2.68127580 1 [/CIF]
Ga2LiV
C2/m
12
monoclinic
2/m
5,342.969124
false
[CIF] data_CdBiSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83552659 _cell_length_b 5.83552659 _cell_length_c 6.30937472 _cell_angle_alpha 92.58561624 _cell_angle_beta 92.58561624 _cell_angle_gamma 32.33090519 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdBiSb2 _chemical_formula_sum 'Cd1 Bi1 Sb2' _cell_volume 114.77965250 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.45662657 -0.00000000 3.15120564 1 Cd Cd1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 2.55893755 0.00000000 1.44720884 1 Sb Sb3 1 8.35431560 -0.00000000 4.85520244 1 [/CIF]
BiCdSb2
C2/m
12
monoclinic
2/m
8,172.680684
false
[CIF] data_TaTc2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92873013 _cell_length_b 4.92873013 _cell_length_c 4.92873013 _cell_angle_alpha 131.57742166 _cell_angle_beta 131.57742166 _cell_angle_gamma 70.89726787 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTc2Br _chemical_formula_sum 'Ta1 Tc2 Br1' _cell_volume 65.61663402 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 0.00000000 0.00000000 4.01511999 1 Tc Tc2 1 0.00000000 2.02128575 2.00756000 1 Tc Tc3 1 2.02128575 0.00000000 2.00756000 1 [/CIF]
BrTaTc2
I4/mmm
139
tetragonal
4/mmm
11,607.26951
false
[CIF] data_Sr2MoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34745261 _cell_length_b 5.34745261 _cell_length_c 5.34745261 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2MoPd _chemical_formula_sum 'Sr2 Mo1 Pd1' _cell_volume 108.12492885 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 -0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 3.78122000 3.78122000 3.78122000 1 Sr Sr2 1 5.67183000 5.67183000 5.67183000 1 Sr Sr3 1 1.89061000 1.89061000 1.89061000 1 [/CIF]
MoPdSr2
Fm-3m
225
cubic
m-3m
5,799.335722
false
[CIF] data_CuPd2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44579848 _cell_length_b 4.44579848 _cell_length_c 4.44579848 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuPd2Se _chemical_formula_sum 'Cu1 Pd2 Se1' _cell_volume 62.13471634 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 3.14365425 3.14365425 3.14365425 1 Pd Pd2 1 4.71548138 4.71548138 4.71548138 1 Se Se3 1 1.57182713 1.57182713 1.57182713 1 [/CIF]
CuPd2Se
F-43m
216
cubic
-43m
9,496.55764
false
[CIF] data_HfSiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15697742 _cell_length_b 5.95293891 _cell_length_c 3.29286319 _cell_angle_alpha 77.66959672 _cell_angle_beta 70.83157258 _cell_angle_gamma 31.49883069 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSiHg _chemical_formula_sum 'Hf1 Si1 Hg1' _cell_volume 59.02049650 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 2.04597884 2.58010050 0.16611464 1 Hg Hg1 1 2.04597884 2.58010050 3.61330070 1 Si Si2 1 2.04597884 2.58010050 7.40118423 1 [/CIF]
HfHgSi
Fmm2
42
orthorhombic
mm2
11,455.583388
false
[CIF] data_BiPbCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36160579 _cell_length_b 4.73374965 _cell_length_c 6.70859605 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiPbCl2 _chemical_formula_sum 'Bi1 Pb1 Cl2' _cell_volume 106.75389050 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.35429802 1 Cl Cl1 1 1.68080289 2.36687483 5.02810475 1 Cl Cl2 1 1.68080289 2.36687483 1.68049130 1 Pb Pb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCl2Pb
Pmmm
47
orthorhombic
mmm
7,576.548192
false
[CIF] data_MgNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.56778769 _cell_length_b 4.10836430 _cell_length_c 4.70298001 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.42213134 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNi3 _chemical_formula_sum 'Mg1 Ni3' _cell_volume 48.94431384 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 0.19447960 2.05418215 3.39630341 1 Ni Ni2 1 0.89893841 0.00000000 2.31976605 1 Ni Ni3 1 1.60339721 2.05418215 1.24322870 1 [/CIF]
MgNi3
P2/m
10
monoclinic
2/m
6,798.490506
false
[CIF] data_Y2AsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37592069 _cell_length_b 3.37592069 _cell_length_c 7.97038345 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.26015713 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2AsRh _chemical_formula_sum 'Y2 As1 Rh1' _cell_volume 90.81521924 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.52995945 1 Rh Rh1 1 2.36074139 0.00000000 2.42577233 1 Y Y2 1 0.00000000 0.00000000 0.47864376 1 Y Y3 1 2.36074139 0.00000000 5.52119963 1 [/CIF]
AsRhY2
Cmm2
35
orthorhombic
mm2
6,502.788034
false
[CIF] data_TiMo2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44129490 _cell_length_b 4.44129490 _cell_length_c 4.44129490 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMo2Se _chemical_formula_sum 'Ti1 Mo2 Se1' _cell_volume 61.94608085 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 4.71070461 4.71070461 4.71070461 1 Mo Mo1 1 1.57023487 1.57023487 1.57023487 1 Se Se2 1 3.14046974 3.14046974 3.14046974 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2SeTi
Fm-3m
225
cubic
m-3m
8,544.396007
false
[CIF] data_SrCoRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06833266 _cell_length_b 4.44905947 _cell_length_c 5.11130168 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCoRe2 _chemical_formula_sum 'Sr1 Co1 Re2' _cell_volume 69.77537327 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 0.00000000 2.22452973 2.55565084 1 Re Re2 1 1.53416633 0.00000000 2.55565084 1 Sr Sr3 1 1.53416633 2.22452973 0.00000000 1 [/CIF]
CoRe2Sr
Pmmm
47
orthorhombic
mmm
12,350.565267
false
[CIF] data_MgSn2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01189317 _cell_length_b 4.01189317 _cell_length_c 6.61288468 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSn2Se _chemical_formula_sum 'Mg1 Sn2 Se1' _cell_volume 106.43627528 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.04043445 1 Se Se1 1 2.00594658 2.00594658 4.07355475 1 Sn Sn2 1 0.00000000 0.00000000 0.42707067 1 Sn Sn3 1 2.00594658 2.00594658 1.37826715 1 [/CIF]
MgSeSn2
P4mm
99
tetragonal
4mm
5,315.717768
false
[CIF] data_SrCoGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32153642 _cell_length_b 3.32153642 _cell_length_c 7.14015716 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCoGe2 _chemical_formula_sum 'Sr1 Co1 Ge2' _cell_volume 78.77452780 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.03723072 1 Ge Ge1 1 1.66076821 1.66076821 6.82111937 1 Ge Ge2 1 0.00000000 0.00000000 1.35641630 1 Sr Sr3 1 1.66076821 1.66076821 3.63562651 1 [/CIF]
CoGe2Sr
P4mm
99
tetragonal
4mm
6,151.742319
false
[CIF] data_Zn2SiGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96234915 _cell_length_b 4.96234915 _cell_length_c 4.96234915 _cell_angle_alpha 131.81798708 _cell_angle_beta 131.81798708 _cell_angle_gamma 70.51664885 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2SiGe _chemical_formula_sum 'Zn2 Si1 Ge1' _cell_volume 66.50089987 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.02556726 2.02602219 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 2.02556726 -0.00000000 2.02602219 1 Zn Zn3 1 0.00000000 -0.00000000 4.05204438 1 [/CIF]
GeSiZn2
I-4m2
119
tetragonal
-42m
5,780.233303
false
[CIF] data_BaSrVPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83428744 _cell_length_b 5.83428744 _cell_length_c 5.83428744 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrVPb _chemical_formula_sum 'Ba1 Sr1 V1 Pb1' _cell_volume 140.42630452 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 6.18819631 6.18819631 6.18819631 1 Pb Pb1 1 4.12546421 4.12546421 4.12546421 1 Sr Sr2 1 2.06273210 2.06273210 2.06273210 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaPbSrV
F-43m
216
cubic
-43m
5,712.514686
false
[CIF] data_RePCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.98579887 _cell_length_b 6.98579887 _cell_length_c 4.10852320 _cell_angle_alpha 105.23979532 _cell_angle_beta 105.23979532 _cell_angle_gamma 24.30606740 _symmetry_Int_Tables_number 1 _chemical_formula_structural RePCl2 _chemical_formula_sum 'Re1 P1 Cl2' _cell_volume 79.48929786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.38459372 0.00000000 2.57517738 1 Cl Cl1 1 11.16916165 -0.00000000 1.38203782 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 6.27687768 -0.00000000 1.97860760 1 [/CIF]
Cl2PRe
C2/m
12
monoclinic
2/m
6,018.160127
false
[CIF] data_MgTiHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85481161 _cell_length_b 4.85481161 _cell_length_c 4.85481161 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTiHg2 _chemical_formula_sum 'Mg1 Ti1 Hg2' _cell_volume 80.90998999 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.43287021 3.43287021 3.43287021 1 Hg Hg1 1 5.14930532 5.14930532 5.14930532 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 1.71643511 1.71643511 1.71643510 1 [/CIF]
Hg2MgTi
F-43m
216
cubic
-43m
9,714.739655
false
[CIF] data_LaAl2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96642925 _cell_length_b 4.96642925 _cell_length_c 4.96642925 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAl2Ga _chemical_formula_sum 'La1 Al2 Ga1' _cell_volume 86.61991654 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Al Al1 1 1.75589790 1.75589790 1.75589790 1 Ga Ga2 1 3.51179580 3.51179580 3.51179580 1 La La3 1 5.26769370 5.26769370 5.26769370 1 [/CIF]
Al2GaLa
F-43m
216
cubic
-43m
5,033.986872
false
[CIF] data_Ag2GeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57115066 _cell_length_b 3.57115066 _cell_length_c 6.86461368 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2GeBi _chemical_formula_sum 'Ag2 Ge1 Bi1' _cell_volume 87.54522167 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78557533 1.78557533 1.46946199 1 Ag Ag1 1 1.78557533 1.78557533 5.39515169 1 Bi Bi2 1 0.00000000 0.00000000 3.43230684 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2BiGe
P4/mmm
123
tetragonal
4/mmm
9,433.757556
false
[CIF] data_Sr2TaPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.20729967 _cell_length_b 8.20729967 _cell_length_c 8.20729967 _cell_angle_alpha 148.64555723 _cell_angle_beta 148.64555723 _cell_angle_gamma 44.93329029 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2TaPb2 _chemical_formula_sum 'Sr2 Ta1 Pb2' _cell_volume 149.21360332 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 0.00000000 0.00000000 8.98499306 1 Pb Pb1 1 -0.00000000 0.00000000 6.18377358 1 Sr Sr2 1 0.00000000 2.21775760 3.79219166 1 Sr Sr3 1 2.21775760 0.00000000 3.79219166 1 Ta Ta4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pb2Sr2Ta
I4/mmm
139
tetragonal
4/mmm
8,575.567177
false
[CIF] data_TiMnTcIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32779828 _cell_length_b 4.32779828 _cell_length_c 4.32779828 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMnTcIr _chemical_formula_sum 'Ti1 Mn1 Tc1 Ir1' _cell_volume 57.31734055 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53010776 1.53010776 1.53010776 1 Mn Mn1 1 3.06021551 3.06021551 3.06021551 1 Tc Tc2 1 4.59032327 4.59032327 4.59032327 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrMnTcTi
F-43m
216
cubic
-43m
11,412.484145
false
[CIF] data_YReSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42425165 _cell_length_b 4.42425165 _cell_length_c 4.40883875 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YReSn2 _chemical_formula_sum 'Y1 Re1 Sn2' _cell_volume 86.29862143 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 2.21212583 2.21212583 0.00000000 1 Sn Sn1 1 2.21212583 0.00000000 2.20441938 1 Sn Sn2 1 0.00000000 2.21212583 2.20441938 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ReSn2Y
P4/mmm
123
tetragonal
4/mmm
9,862.044216
false
[CIF] data_Na2CdFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03820431 _cell_length_b 3.03820431 _cell_length_c 9.37200663 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CdFe _chemical_formula_sum 'Na2 Cd1 Fe1' _cell_volume 86.51004504 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.51910215 1.51910215 5.15707083 1 Fe Fe1 1 0.00000000 0.00000000 6.76551213 1 Na Na2 1 1.51910215 1.51910215 8.88986581 1 Na Na3 1 0.00000000 0.00000000 2.61756790 1 [/CIF]
CdFeNa2
P4mm
99
tetragonal
4mm
4,112.198544
false
[CIF] data_InOsCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90276488 _cell_length_b 4.90276488 _cell_length_c 4.90276488 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InOsCl3 _chemical_formula_sum 'In1 Os1 Cl3' _cell_volume 117.84826670 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 2.45138244 0.00000000 2.45138244 1 Cl Cl1 1 2.45138244 2.45138244 0.00000000 1 Cl Cl2 1 0.00000000 2.45138244 2.45138244 1 Os Os3 1 2.45138244 2.45138244 2.45138244 1 In In4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl3InOs
Pm-3m
221
cubic
m-3m
5,796.923577
false
[CIF] data_TeOs2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78076594 _cell_length_b 4.78076594 _cell_length_c 4.90559624 _cell_angle_alpha 99.17259896 _cell_angle_beta 99.17259896 _cell_angle_gamma 35.66580434 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeOs2Ru _chemical_formula_sum 'Te1 Os2 Ru1' _cell_volume 64.44976153 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 8.22232013 0.00000000 4.64588252 1 Os Os1 1 1.65653623 -0.00000000 3.67289315 1 Ru Ru2 1 4.19811659 0.00000000 2.49975805 1 Te Te3 1 6.62470355 0.00000000 1.27228660 1 [/CIF]
Os2RuTe
Cm
8
monoclinic
m
15,694.149019
false
[CIF] data_Fe3Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53731275 _cell_length_b 4.53731275 _cell_length_c 4.53731275 _cell_angle_alpha 131.90328141 _cell_angle_beta 131.90328141 _cell_angle_gamma 70.38182634 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3Sn _chemical_formula_sum 'Fe3 Sn1' _cell_volume 50.70784164 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84898924 -0.00000000 1.85402836 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 0.00000000 1.84898923 1.85402836 1 Sn Sn3 1 0.00000000 -0.00000000 3.70805672 1 [/CIF]
Fe3Sn
I4/mmm
139
tetragonal
4/mmm
9,374.344112
false
[CIF] data_CuSbOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46585183 _cell_length_b 4.46585183 _cell_length_c 4.46585183 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSbOs2 _chemical_formula_sum 'Cu1 Sb1 Os2' _cell_volume 62.97931466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 3.15783411 3.15783411 3.15783411 1 Os Os2 1 4.73675117 4.73675117 4.73675117 1 Sb Sb3 1 1.57891706 1.57891706 1.57891706 1 [/CIF]
CuOs2Sb
F-43m
216
cubic
-43m
14,917.224023
false
[CIF] data_BaCo2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71872565 _cell_length_b 4.71872565 _cell_length_c 3.87755124 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCo2Te _chemical_formula_sum 'Ba1 Co2 Te1' _cell_volume 86.33899730 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.35936282 2.35936282 0.00000000 1 Co Co1 1 2.35936282 0.00000000 1.93877562 1 Co Co2 1 0.00000000 2.35936282 1.93877562 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCo2Te
P4/mmm
123
tetragonal
4/mmm
7,362.181731
false
[CIF] data_V4Fe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74277345 _cell_length_b 4.74277345 _cell_length_c 6.39515442 _cell_angle_alpha 97.74936638 _cell_angle_beta 97.74936638 _cell_angle_gamma 35.09680123 _symmetry_Int_Tables_number 1 _chemical_formula_structural V4Fe3 _chemical_formula_sum 'V4 Fe3' _cell_volume 81.87779600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 6.33087988 0.00000000 0.90441141 1 Fe Fe2 1 0.90441141 -0.00000000 2.71323423 1 V V3 1 3.61764564 0.00000000 1.80882282 1 V V4 1 7.23529129 0.00000000 3.61764564 1 V V5 1 4.52205705 0.00000000 4.52205705 1 V V6 1 1.80882282 -0.00000000 5.42646846 1 [/CIF]
Fe3V4
Cm
8
monoclinic
m
7,530.244414
false
[CIF] data_Sn2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97319003 _cell_length_b 7.36311911 _cell_length_c 3.05068903 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2W _chemical_formula_sum 'Sn4 W2' _cell_volume 156.63588559 _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 Sn Sn0 1 1.89178050 5.37432164 0.00000000 1 Sn Sn1 1 5.08140953 1.98879747 0.00000000 1 Sn Sn2 1 5.37837552 5.67035702 1.52534451 1 Sn Sn3 1 1.59481451 1.69276209 1.52534451 1 W W4 1 0.00000000 0.00000000 0.00000000 1 W W5 1 3.48659501 3.68155956 1.52534451 1 [/CIF]
Sn4W2
Pnnm
58
orthorhombic
mmm
8,931.780665
false
[CIF] data_ReBi2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80682894 _cell_length_b 4.80682894 _cell_length_c 4.80682894 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReBi2Ru _chemical_formula_sum 'Re1 Bi2 Ru1' _cell_volume 78.53459420 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.09841201 5.09841201 5.09841201 1 Bi Bi1 1 1.69947067 1.69947067 1.69947067 1 Re Re2 1 3.39894134 3.39894134 3.39894134 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2ReRu
Fm-3m
225
cubic
m-3m
14,911.580432
false
[CIF] data_NaCr2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26356454 _cell_length_b 3.26356454 _cell_length_c 8.03323083 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCr2Bi _chemical_formula_sum 'Na1 Cr2 Bi1' _cell_volume 85.56076476 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63178227 1.63178227 6.42159314 1 Cr Cr1 1 0.00000000 0.00000000 0.42253099 1 Cr Cr2 1 1.63178227 1.63178227 1.43020943 1 Na Na3 1 0.00000000 0.00000000 3.77551269 1 [/CIF]
BiCr2Na
P4mm
99
tetragonal
4mm
6,520.26242
false
[CIF] data_LiV2P5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64489239 _cell_length_b 14.62742787 _cell_length_c 4.46018133 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiV2P5 _chemical_formula_sum 'Li2 V4 P10' _cell_volume 303.03733473 _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 Li Li0 1 2.32244619 7.31371393 1.72356036 1 Li Li1 1 0.00000000 0.00000000 2.73662097 1 P P2 1 0.00000000 9.20382774 2.34953035 1 P P3 1 0.00000000 5.42360013 2.34953035 1 P P4 1 2.32244619 12.73731406 2.11065098 1 P P5 1 2.32244619 1.89011381 2.11065098 1 P P6 1 0.00000000 2.41909587 4.38086673 1 P P7 1 0.00000000 12.20833200 4.38086673 1 P P8 1 2.32244619 4.89461807 0.07931460 1 P P9 1 2.32244619 9.73280980 0.07931460 1 P P10 1 0.00000000 7.31371393 1.35009551 1 P P11 1 2.32244619 0.00000000 3.11008582 1 V V12 1 0.00000000 4.67763070 0.08310553 1 V V13 1 0.00000000 9.94979717 0.08310553 1 V V14 1 2.32244619 2.63608323 4.37707580 1 V V15 1 2.32244619 11.99134464 4.37707580 1 [/CIF]
Li2P10V4
Pmmn
59
orthorhombic
mmm
2,889.889544
false
[CIF] data_KTlFeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79857061 _cell_length_b 4.79857061 _cell_length_c 4.79857061 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTlFeMo _chemical_formula_sum 'K1 Tl1 Fe1 Mo1' _cell_volume 78.13051231 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69655091 1.69655091 1.69655091 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 5.08965273 5.08965273 5.08965273 1 Tl Tl3 1 3.39310182 3.39310182 3.39310182 1 [/CIF]
FeKMoTl
F-43m
216
cubic
-43m
8,401.184408
false
[CIF] data_NaLiInSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18534525 _cell_length_b 5.18534525 _cell_length_c 5.18534525 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiInSn _chemical_formula_sum 'Na1 Li1 In1 Sn1' _cell_volume 98.58663333 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83329639 1.83329639 1.83329639 1 Li Li1 1 0.00000000 -0.00000000 0.00000000 1 Na Na2 1 5.49988918 5.49988918 5.49988919 1 Sn Sn3 1 3.66659279 3.66659279 3.66659279 1 [/CIF]
InLiNaSn
F-43m
216
cubic
-43m
4,437.554708
false
[CIF] data_CrBiPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44388503 _cell_length_b 4.53074186 _cell_length_c 4.75388806 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrBiPt2 _chemical_formula_sum 'Cr1 Bi1 Pt2' _cell_volume 74.17659857 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.26537093 2.73165809 1 Cr Cr1 1 0.00000000 0.00000000 0.68627865 1 Pt Pt2 1 1.72194252 2.26537093 0.38803721 1 Pt Pt3 1 1.72194252 0.00000000 3.32485813 1 [/CIF]
BiCrPt2
Pmm2
25
orthorhombic
mm2
14,577.707127
false
[CIF] data_TaSbP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80917645 _cell_length_b 4.80917645 _cell_length_c 3.58998517 _cell_angle_alpha 104.53384502 _cell_angle_beta 104.53384502 _cell_angle_gamma 100.93509218 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSbP2 _chemical_formula_sum 'Ta1 Sb1 P2' _cell_volume 74.91886855 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.82286492 -1.85457274 1.64959704 1 P P1 1 0.82286492 1.85457274 1.64959704 1 Sb Sb2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 3.06111385 -0.00000000 0.00000000 1 [/CIF]
P2SbTa
C2/m
12
monoclinic
2/m
8,082.403751
false
[CIF] data_CdAgHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99959959 _cell_length_b 4.99959959 _cell_length_c 4.99959959 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdAgHg2 _chemical_formula_sum 'Cd1 Ag1 Hg2' _cell_volume 88.36711415 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 1.76762539 1.76762539 1.76762538 1 Hg Hg2 1 3.53525077 3.53525077 3.53525077 1 Hg Hg3 1 5.30287616 5.30287616 5.30287616 1 [/CIF]
AgCdHg2
F-43m
216
cubic
-43m
11,678.069266
false
[CIF] data_Mn2NbCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27718426 _cell_length_b 4.27718426 _cell_length_c 3.35223136 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2NbCd _chemical_formula_sum 'Mn2 Nb1 Cd1' _cell_volume 61.32674358 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 2.13859213 2.13859213 0.00000000 1 Mn Mn1 1 2.13859213 0.00000000 1.67611568 1 Mn Mn2 1 0.00000000 2.13859213 1.67611568 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdMn2Nb
P4/mmm
123
tetragonal
4/mmm
8,534.467019
false
[CIF] data_HgAuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95371384 _cell_length_b 4.95371384 _cell_length_c 4.95371384 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgAuSe2 _chemical_formula_sum 'Hg1 Au1 Se2' _cell_volume 85.95630701 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 3.50280465 3.50280465 3.50280465 1 Se Se2 1 1.75140232 1.75140232 1.75140233 1 Se Se3 1 5.25420697 5.25420697 5.25420698 1 [/CIF]
AuHgSe2
Fm-3m
225
cubic
m-3m
10,730.923367
false
[CIF] data_CdSbPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53177302 _cell_length_b 4.53177302 _cell_length_c 3.72081008 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSbPd _chemical_formula_sum 'Cd1 Sb1 Pd1' _cell_volume 66.17659748 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.61642039 0.19613380 1 Pd Pd1 1 0.00000000 0.00000000 1.41666011 1 Sb Sb2 1 2.26588649 1.30821020 2.10801617 1 [/CIF]
CdPdSb
P3m1
156
trigonal
3m
8,546.294049
false
[CIF] data_TiPd2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76778484 _cell_length_b 3.98029145 _cell_length_c 5.44360122 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiPd2Ru _chemical_formula_sum 'Ti1 Pd2 Ru1' _cell_volume 59.96992458 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 1.38389242 1.99014573 1.37834999 1 Pd Pd1 1 1.38389242 1.99014573 4.06525123 1 Ru Ru2 1 0.00000000 0.00000000 2.72180061 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pd2RuTi
Pmmm
47
orthorhombic
mmm
10,017.435341
false
[CIF] data_Mg2CoCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00863702 _cell_length_b 3.00863702 _cell_length_c 6.91290140 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2CoCu _chemical_formula_sum 'Mg2 Co1 Cu1' _cell_volume 62.57486950 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.68733739 1 Cu Cu1 1 1.50431851 1.50431851 4.93347545 1 Mg Mg2 1 0.00000000 0.00000000 6.58831337 1 Mg Mg3 1 1.50431851 1.50431851 2.07312728 1 [/CIF]
CoCuMg2
P4mm
99
tetragonal
4mm
4,540.165956
false
[CIF] data_BeTeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31296783 _cell_length_b 4.31296783 _cell_length_c 3.14755415 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTeOs2 _chemical_formula_sum 'Be1 Te1 Os2' _cell_volume 58.54983129 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 0.00000000 2.15648391 1.57377707 1 Os Os2 1 2.15648391 0.00000000 1.57377707 1 Te Te3 1 2.15648391 2.15648391 0.00000000 1 [/CIF]
BeOs2Te
P4/mmm
123
tetragonal
4/mmm
14,664.748636
false
[CIF] data_PWCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41145668 _cell_length_b 4.41145668 _cell_length_c 2.85377241 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PWCl _chemical_formula_sum 'P1 W1 Cl1' _cell_volume 48.09655871 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.54695571 2.29750976 1 P P1 1 0.00000000 0.00000000 1.48564278 1 W W2 1 2.20572832 1.27347786 1.92439228 1 [/CIF]
ClPW
P3m1
156
trigonal
3m
8,640.487934
false
[CIF] data_MgFeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71102231 _cell_length_b 4.21322130 _cell_length_c 5.08669330 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.19876873 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgFeOs2 _chemical_formula_sum 'Mg1 Fe1 Os2' _cell_volume 56.56610279 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.77478895 0.00000000 2.47616112 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.51234331 2.10661065 1.31818482 1 Os Os3 1 0.03723458 2.10661065 3.63413742 1 [/CIF]
FeMgOs2
P2/m
10
monoclinic
2/m
13,521.541378
false
[CIF] data_SrCaMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36429180 _cell_length_b 5.36429180 _cell_length_c 5.36429180 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCaMn2 _chemical_formula_sum 'Sr1 Ca1 Mn2' _cell_volume 109.14960916 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 5.68969066 5.68969066 5.68969066 1 Mn Mn2 1 1.89656356 1.89656355 1.89656355 1 Sr Sr3 1 3.79312711 3.79312711 3.79312711 1 [/CIF]
CaMn2Sr
Fm-3m
225
cubic
m-3m
3,614.31489
false
[CIF] data_LiInPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21174804 _cell_length_b 4.21174804 _cell_length_c 3.62258396 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiInPd2 _chemical_formula_sum 'Li1 In1 Pd2' _cell_volume 64.26037027 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.10587402 2.10587402 0.00000000 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 0.00000000 2.10587402 1.81129198 1 Pd Pd3 1 2.10587402 0.00000000 1.81129198 1 [/CIF]
InLiPd2
P4/mmm
123
tetragonal
4/mmm
8,647.297868
false
[CIF] data_Ho2BeCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71573940 _cell_length_b 4.71573940 _cell_length_c 4.71573940 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho2BeCo _chemical_formula_sum 'Ho2 Be1 Co1' _cell_volume 74.15396789 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 3.33453131 3.33453131 3.33453131 1 Ho Ho2 1 5.00179697 5.00179697 5.00179697 1 Ho Ho3 1 1.66726566 1.66726566 1.66726566 1 [/CIF]
BeCoHo2
Fm-3m
225
cubic
m-3m
8,908.119834
false
[CIF] data_Ti3Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36155075 _cell_length_b 4.36155075 _cell_length_c 4.36155075 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Co _chemical_formula_sum 'Ti3 Co1' _cell_volume 58.66887925 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.08408211 3.08408211 3.08408211 1 Ti Ti1 1 1.54204106 1.54204106 1.54204106 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 4.62612317 4.62612317 4.62612317 1 [/CIF]
CoTi3
Fm-3m
225
cubic
m-3m
5,732.441925
false
[CIF] data_Ba2AlAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02889987 _cell_length_b 4.11664262 _cell_length_c 8.29022415 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.13271900 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2AlAu _chemical_formula_sum 'Ba2 Al1 Au1' _cell_volume 137.47098299 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.08194218 0.00000000 4.14430206 1 Ba Ba2 1 1.87921485 2.05832131 6.14726182 1 Ba Ba3 1 1.98580066 2.05832131 2.14134231 1 [/CIF]
AlAuBa2
P2/m
10
monoclinic
2/m
6,022.713014
false
[CIF] data_TaTc2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.79636929 _cell_length_b 8.79636929 _cell_length_c 8.79636929 _cell_angle_alpha 20.62878471 _cell_angle_beta 20.62878471 _cell_angle_gamma 20.62878471 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTc2Pb _chemical_formula_sum 'Ta1 Tc2 Pb1' _cell_volume 73.95377599 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 -0.00000000 0.00000000 12.90947433 1 Ta Ta1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 -0.00000000 -0.00000000 19.16256860 1 Tc Tc3 1 -0.00000000 0.00000000 6.65638005 1 [/CIF]
PbTaTc2
R-3m
166
trigonal
-3m
13,157.00142
false
[CIF] data_Mn2ReGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77491107 _cell_length_b 3.69703655 _cell_length_c 5.18771464 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2ReGe _chemical_formula_sum 'Mn2 Re1 Ge1' _cell_volume 53.22049291 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 1.38745553 1.84851828 1.32031384 1 Mn Mn2 1 1.38745553 1.84851828 3.86740080 1 Re Re3 1 0.00000000 0.00000000 2.59385732 1 [/CIF]
GeMn2Re
Pmmm
47
orthorhombic
mmm
11,504.573938
false
[CIF] data_Ti2SiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39974567 _cell_length_b 4.39974567 _cell_length_c 4.39974567 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2SiMo _chemical_formula_sum 'Ti2 Si1 Mo1' _cell_volume 60.22373971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.11109000 3.11109000 3.11109000 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 1.55554500 1.55554500 1.55554500 1 Ti Ti3 1 4.66663500 4.66663500 4.66663500 1 [/CIF]
MoSiTi2
Fm-3m
225
cubic
m-3m
6,059.943264
false
[CIF] data_CrNi3Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14917072 _cell_length_b 4.14917072 _cell_length_c 4.14917072 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrNi3Cl _chemical_formula_sum 'Cr1 Ni3 Cl1' _cell_volume 71.43053674 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.07458536 0.00000000 1 Ni Ni1 1 0.00000000 0.00000000 2.07458536 1 Ni Ni2 1 2.07458536 0.00000000 0.00000000 1 Cl Cl3 1 0.00000000 0.00000000 0.00000000 1 Cr Cr4 1 2.07458536 2.07458536 2.07458536 1 [/CIF]
ClCrNi3
Pm-3m
221
cubic
m-3m
6,126.24121
false
[CIF] data_CaYScOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04615530 _cell_length_b 5.04615530 _cell_length_c 5.04615530 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYScOs _chemical_formula_sum 'Ca1 Y1 Sc1 Os1' _cell_volume 90.85876685 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 5.35225595 5.35225595 5.35225595 1 Sc Sc2 1 1.78408532 1.78408532 1.78408532 1 Y Y3 1 3.56817063 3.56817063 3.56817063 1 [/CIF]
CaOsScY
F-43m
216
cubic
-43m
6,655.58358
false
[CIF] data_ZnFe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22693154 _cell_length_b 4.22693154 _cell_length_c 4.22693154 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnFe3 _chemical_formula_sum 'Zn1 Fe3' _cell_volume 75.52237551 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.11346577 1 Fe Fe1 1 0.00000000 2.11346577 0.00000000 1 Fe Fe2 1 2.11346577 0.00000000 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe3Zn
Pm-3m
221
cubic
m-3m
5,121.190297
false
[CIF] data_CdAs4Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51097518 _cell_length_b 5.51097518 _cell_length_c 5.51097518 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdAs4Ru _chemical_formula_sum 'Cd1 As4 Ru1' _cell_volume 118.35057361 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 4.87238322 4.87238322 2.92131262 1 As As1 1 4.87238322 2.92131262 4.87238322 1 As As2 1 2.92131262 4.87238322 4.87238322 1 As As3 1 2.92131262 2.92131262 2.92131262 1 Cd Cd4 1 5.84527188 5.84527188 5.84527188 1 Ru Ru5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As4CdRu
F-43m
216
cubic
-43m
7,200.087751
false
[CIF] data_CaLaSnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08642101 _cell_length_b 5.08642101 _cell_length_c 5.08642101 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLaSnIr _chemical_formula_sum 'Ca1 La1 Sn1 Ir1' _cell_volume 93.05118673 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 5.39496419 5.39496419 5.39496419 1 La La2 1 1.79832140 1.79832140 1.79832139 1 Sn Sn3 1 3.59664279 3.59664279 3.59664279 1 [/CIF]
CaIrLaSn
F-43m
216
cubic
-43m
8,742.666302
false
[CIF] data_La2NbSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26326171 _cell_length_b 6.26326171 _cell_length_c 5.02108482 _cell_angle_alpha 106.29880291 _cell_angle_beta 106.29880291 _cell_angle_gamma 33.32586822 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2NbSe _chemical_formula_sum 'La2 Nb1 Se1' _cell_volume 103.46741996 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.07101988 0.00000000 0.17979621 1 La La1 1 1.76974938 0.00000000 3.45948909 1 Nb Nb2 1 4.82858549 0.00000000 2.32721707 1 Se Se3 1 9.12503780 0.00000000 1.23469996 1 [/CIF]
La2NbSe
Cm
8
monoclinic
m
7,216.829776
false
[CIF] data_Na2CaH4(CO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.55471025 _cell_length_b 6.46943958 _cell_length_c 11.61310347 _cell_angle_alpha 64.23478718 _cell_angle_beta 33.50476155 _cell_angle_gamma 82.26045127 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CaH4(CO4)2 _chemical_formula_sum 'Na4 Ca2 H8 C4 O16' _cell_volume 350.39295667 _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 Na Na0 1 9.31561815 17.43198925 4.59200266 1 Na Na1 1 7.82852385 12.89713775 4.59200266 1 Na Na2 1 4.97116685 12.37713475 3.07578266 1 Na Na3 1 6.45826115 7.84228325 3.07578266 1 Ca Ca4 1 2.85735700 5.05485450 1.50553368 1 Ca Ca5 1 5.71471400 10.10970900 6.05419368 1 H H6 1 7.31458247 10.55958094 3.22636151 1 H H7 1 4.11484553 9.65983706 3.22636151 1 H H8 1 6.97220253 15.61443544 4.74258151 1 H H9 1 10.17193947 14.71469156 4.74258151 1 H H10 1 8.25879038 9.84406629 4.29266748 1 H H11 1 3.17063762 10.37535171 4.29266748 1 H H12 1 6.02799462 4.78921179 2.77644748 1 H H13 1 5.40143338 15.43020621 2.77644748 1 C C14 1 1.90400555 2.30451828 1.57098890 1 C C15 1 3.81070845 7.80519072 1.57098890 1 C C16 1 6.66806545 17.46908178 3.08720890 1 C C17 1 4.76136255 2.75033622 3.08720890 1 O O18 1 2.80246717 2.70533791 0.73133659 1 O O19 1 2.91224683 7.40437109 0.73133659 1 O O20 1 5.76960383 7.76019241 5.27999659 1 O O21 1 5.65982417 12.45922559 5.27999659 1 O O22 1 7.08826837 13.27027700 2.38377379 1 O O23 1 4.34115963 6.94914100 2.38377379 1 O O24 1 7.19851663 18.32513150 3.89999379 1 O O25 1 9.94562537 12.00399550 3.89999379 1 O O26 1 7.26523020 11.15012948 1.61289722 1 O O27 1 4.16419780 9.06928852 1.61289722 1 O O28 1 7.02155480 16.20498398 3.12911722 1 O O29 1 4.40787320 4.01443402 3.12911722 1 O O30 1 4.48686198 15.05096070 2.65379438 1 O O31 1 6.94256602 5.16845730 2.65379438 1 O O32 1 4.08520902 9.99610620 4.17001438 1 O O33 1 7.34421898 10.22331180 4.17001438 1 [/CIF]
C4H8Ca2Na4O16
Fdd2
43
orthorhombic
mm2
2,294.716804
false
[CIF] data_YRu2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73774353 _cell_length_b 4.73774353 _cell_length_c 4.73774353 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YRu2Pb _chemical_formula_sum 'Y1 Ru2 Pb1' _cell_volume 75.19684937 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 3.35009058 3.35009058 3.35009058 1 Ru Ru1 1 5.02513587 5.02513587 5.02513587 1 Ru Ru2 1 1.67504529 1.67504529 1.67504529 1 Y Y3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
PbRu2Y
Fm-3m
225
cubic
m-3m
11,002.544729
false
[CIF] data_SrAlAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48984411 _cell_length_b 3.48984411 _cell_length_c 7.27586709 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAlAu2 _chemical_formula_sum 'Sr1 Al1 Au2' _cell_volume 88.61287196 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74492205 1.74492205 1.43896490 1 Au Au2 1 1.74492205 1.74492205 5.83690219 1 Sr Sr3 1 0.00000000 0.00000000 3.63793355 1 [/CIF]
AlAu2Sr
P4/mmm
123
tetragonal
4/mmm
9,529.560193
false
[CIF] data_TiAlAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95540955 _cell_length_b 2.95540955 _cell_length_c 7.78055453 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAlAu2 _chemical_formula_sum 'Ti1 Al1 Au2' _cell_volume 67.95883039 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.82715279 1 Au Au1 1 1.47770478 1.47770478 7.58772002 1 Au Au2 1 0.00000000 0.00000000 2.07027454 1 Ti Ti3 1 1.47770478 1.47770478 3.96623890 1 [/CIF]
AlAu2Ti
P4mm
99
tetragonal
4mm
11,455.086283
false
[CIF] data_VCoTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95113286 _cell_length_b 3.95113286 _cell_length_c 3.95113286 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCoTc _chemical_formula_sum 'V1 Co1 Tc1' _cell_volume 43.61640864 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.39693642 1.39693642 1.39693642 1 Tc Tc1 1 2.79387284 2.79387284 2.79387284 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoTcV
F-43m
216
cubic
-43m
7,948.587316
false
[CIF] data_Ba2NiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38496239 _cell_length_b 5.38496239 _cell_length_c 5.38496239 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2NiRh _chemical_formula_sum 'Ba2 Ni1 Rh1' _cell_volume 110.41625794 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.71161513 5.71161513 5.71161513 1 Ba Ba1 1 1.90387171 1.90387171 1.90387171 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 3.80774342 3.80774342 3.80774342 1 [/CIF]
Ba2NiRh
Fm-3m
225
cubic
m-3m
6,560.763758
false
[CIF] data_Mg3W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91184726 _cell_length_b 5.91184726 _cell_length_c 4.91970500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3W _chemical_formula_sum 'Mg6 W2' _cell_volume 148.90733936 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 1.76400680 3.68977875 1 Mg Mg1 1 -1.42824893 4.23780651 3.68977875 1 Mg Mg2 1 1.42824893 4.23780651 3.68977875 1 Mg Mg3 1 1.52767470 0.88200340 1.22992625 1 Mg Mg4 1 4.38417256 0.88200340 1.22992625 1 Mg Mg5 1 2.95592363 3.35580311 1.22992625 1 W W6 1 2.95592363 1.70660330 3.68977875 1 W W7 1 0.00000000 3.41320661 1.22992625 1 [/CIF]
Mg6W2
P6_3/mmc
194
hexagonal
6/mmm
5,726.403028
false
[CIF] data_TaNbB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87331280 _cell_length_b 3.87331280 _cell_length_c 3.20356615 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNbB2 _chemical_formula_sum 'Ta1 Nb1 B2' _cell_volume 48.06166790 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93665640 0.00000000 1.60178307 1 B B1 1 0.00000000 1.93665640 1.60178307 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.93665640 1.93665640 0.00000000 1 [/CIF]
B2NbTa
P4/mmm
123
tetragonal
4/mmm
10,208.756675
false
[CIF] data_In2PdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31750611 _cell_length_b 4.67542258 _cell_length_c 4.68714878 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2PdPt _chemical_formula_sum 'In2 Pd1 Pt1' _cell_volume 72.70115993 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65875305 0.00000000 0.53778184 1 In In1 1 1.65875305 2.33771129 2.97790283 1 Pd Pd2 1 0.00000000 0.00000000 2.86053765 1 Pt Pt3 1 0.00000000 2.33771129 0.65450085 1 [/CIF]
In2PdPt
Pmm2
25
orthorhombic
mm2
12,131.564726
false
[CIF] data_TaI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33651331 _cell_length_b 3.33651331 _cell_length_c 4.54706670 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaI _chemical_formula_sum 'Ta1 I1' _cell_volume 43.83769200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 1.66825664 0.96316844 2.27353335 1 [/CIF]
ITa
P-6m2
187
hexagonal
-6m2
11,661.226567
false
[CIF] data_SrOsRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85167651 _cell_length_b 4.85167651 _cell_length_c 4.85167651 _cell_angle_alpha 126.65589184 _cell_angle_beta 126.65589184 _cell_angle_gamma 78.81278395 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrOsRh2 _chemical_formula_sum 'Sr1 Os1 Rh2' _cell_volume 71.12007271 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 -0.00000000 -0.00000000 3.74870975 1 Rh Rh1 1 -0.00000000 2.17783610 1.87435488 1 Rh Rh2 1 2.17783610 -0.00000000 1.87435488 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsRh2Sr
I4/mmm
139
tetragonal
4/mmm
11,292.704787
false
[CIF] data_LaPPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28753539 _cell_length_b 4.28753539 _cell_length_c 8.01667454 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaPPd _chemical_formula_sum 'La2 P2 Pd2' _cell_volume 127.62634135 _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 0.00000000 0.00000000 4.00833727 1 La La1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 2.14376769 1.23770486 6.01250591 1 P P3 1 -0.00000000 2.47540971 2.00416864 1 Pd Pd4 1 2.14376769 1.23770486 2.00416864 1 Pd Pd5 1 -0.00000000 2.47540971 6.01250591 1 [/CIF]
La2P2Pd2
P6_3/mmc
194
hexagonal
6/mmm
7,189.736888
false
[CIF] data_CsHPd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38806954 _cell_length_b 4.38806954 _cell_length_c 4.38806954 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsHPd3 _chemical_formula_sum 'Cs1 H1 Pd3' _cell_volume 84.49295602 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.19403477 2.19403477 2.19403477 1 H H1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 0.00000000 2.19403477 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 2.19403477 1 Pd Pd4 1 2.19403477 0.00000000 0.00000000 1 [/CIF]
CsHPd3
Pm-3m
221
cubic
m-3m
8,906.211318
false
[CIF] data_TiNb2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22714149 _cell_length_b 3.22714149 _cell_length_c 6.59957193 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNb2Mo _chemical_formula_sum 'Ti1 Nb2 Mo1' _cell_volume 68.73086039 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.29978596 1 Nb Nb1 1 1.61357075 1.61357075 4.87566811 1 Nb Nb2 1 1.61357075 1.61357075 1.72390382 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoNb2Ti
P4/mmm
123
tetragonal
4/mmm
7,964.103698
false
[CIF] data_HfIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00389449 _cell_length_b 5.00389449 _cell_length_c 5.00389449 _cell_angle_alpha 146.45588406 _cell_angle_beta 134.06180857 _cell_angle_gamma 58.06920463 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfIr2 _chemical_formula_sum 'Hf1 Ir2' _cell_volume 49.34321342 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.00000000 0.00000000 5.89424239 1 Ir Ir2 1 0.00000000 -0.00000000 2.85583531 1 [/CIF]
Hf2Ir4
Immm
71
orthorhombic
mmm
18,943.989025
false
[CIF] data_TlRhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52042368 _cell_length_b 4.52042368 _cell_length_c 4.52042368 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlRhAu _chemical_formula_sum 'Tl1 Rh1 Au1' _cell_volume 65.31642810 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.79463336 4.79463336 4.79463336 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 3.19642224 3.19642224 3.19642224 1 [/CIF]
AuRhTl
F-43m
216
cubic
-43m
12,819.680502
false
[CIF] data_CaTlV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16174654 _cell_length_b 4.16174654 _cell_length_c 4.57952999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTlV2 _chemical_formula_sum 'Ca1 Tl1 V2' _cell_volume 79.31807429 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tl Tl1 1 2.08087327 2.08087327 0.00000000 1 V V2 1 2.08087327 0.00000000 2.28976500 1 V V3 1 0.00000000 2.08087327 2.28976500 1 [/CIF]
CaTlV2
P4/mmm
123
tetragonal
4/mmm
7,250.78421
false
[CIF] data_AlCoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07001396 _cell_length_b 4.07001396 _cell_length_c 2.75271831 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCoRu _chemical_formula_sum 'Al1 Co1 Ru1' _cell_volume 39.48973328 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.15220663 1 Co Co1 1 -0.00000000 2.34982365 0.80609989 1 Ru Ru2 1 2.03500698 1.17491183 1.79441181 1 [/CIF]
AlCoRu
P3m1
156
trigonal
3m
7,862.688073
false
[CIF] data_Cd2TeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53341805 _cell_length_b 4.61763558 _cell_length_c 5.14787673 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2TeMo _chemical_formula_sum 'Cd2 Te1 Mo1' _cell_volume 83.99294672 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.76670903 0.00000000 2.57393836 1 Cd Cd1 1 0.00000000 2.30881779 2.57393836 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 1.76670903 2.30881779 0.00000000 1 [/CIF]
Cd2MoTe
Pmmm
47
orthorhombic
mmm
8,864.504186
false
[CIF] data_NaLiZnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46086640 _cell_length_b 4.46086640 _cell_length_c 4.46086640 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiZnOs _chemical_formula_sum 'Na1 Li1 Zn1 Os1' _cell_volume 62.76863024 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 1.57715444 1.57715444 1.57715444 1 Os Os2 1 3.15430888 3.15430888 3.15430888 1 Zn Zn3 1 4.73146332 4.73146332 4.73146332 1 [/CIF]
LiNaOsZn
F-43m
216
cubic
-43m
7,553.958095
false
[CIF] data_Ti2GaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09526913 _cell_length_b 3.09526913 _cell_length_c 6.76201669 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 95.30744142 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2GaPt _chemical_formula_sum 'Ti2 Ga1 Pt1' _cell_volume 64.50704001 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 3.29377874 1 Pt Pt1 1 2.08500335 0.00000000 1.68334414 1 Ti Ti2 1 0.00000000 0.00000000 0.06361807 1 Ti Ti3 1 2.08500335 0.00000000 5.10228402 1 [/CIF]
GaPtTi2
Cmm2
35
orthorhombic
mm2
9,281.039954
false
[CIF] data_GaB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29929928 _cell_length_b 5.29929928 _cell_length_c 6.60658617 _cell_angle_alpha 122.83532442 _cell_angle_beta 122.83532442 _cell_angle_gamma 32.17352921 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaB _chemical_formula_sum 'Ga3 B3' _cell_volume 81.55807607 _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 B B0 1 -0.61981796 0.00000000 1.01699899 1 B B1 1 5.15685635 -0.00000000 0.46001712 1 B B2 1 3.63616778 -0.00000000 1.24221935 1 Ga Ga3 1 1.25925246 -0.00000000 3.67966962 1 Ga Ga4 1 -1.43650867 0.00000000 3.23463517 1 Ga Ga5 1 7.23337005 -0.00000000 0.36562876 1 [/CIF]
B3Ga3
Cm
8
monoclinic
m
4,919.066007
false
[CIF] data_Zr8AlV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78410501 _cell_length_b 4.78410501 _cell_length_c 10.49956628 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr8AlV2 _chemical_formula_sum 'Zr8 Al1 V2' _cell_volume 240.31051100 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 V V1 1 0.00000000 0.00000000 3.28992045 1 V V2 1 0.00000000 0.00000000 7.20964583 1 Zr Zr3 1 0.00000000 2.39205251 5.24978314 1 Zr Zr4 1 2.39205251 0.00000000 5.24978314 1 Zr Zr5 1 2.39205251 2.39205251 3.53333914 1 Zr Zr6 1 2.39205251 2.39205251 6.96622714 1 Zr Zr7 1 0.00000000 2.39205251 1.63476557 1 Zr Zr8 1 2.39205251 0.00000000 1.63476557 1 Zr Zr9 1 0.00000000 2.39205251 8.86480071 1 Zr Zr10 1 2.39205251 0.00000000 8.86480071 1 [/CIF]
AlV2Zr8
P4/mmm
123
tetragonal
4/mmm
5,933.293226
false
[CIF] data_BaCrCdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27354005 _cell_length_b 5.27354005 _cell_length_c 5.27354005 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCrCdAu _chemical_formula_sum 'Ba1 Cr1 Cd1 Au1' _cell_volume 103.70310214 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86447797 1.86447797 1.86447797 1 Ba Ba1 1 5.59343390 5.59343390 5.59343390 1 Cd Cd2 1 3.72895593 3.72895593 3.72895593 1 Cr Cr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBaCdCr
F-43m
216
cubic
-43m
7,985.41149
false
[CIF] data_NaGeSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98879342 _cell_length_b 5.98879342 _cell_length_c 5.98879342 _cell_angle_alpha 143.33431272 _cell_angle_beta 143.33431272 _cell_angle_gamma 52.82390018 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaGeSb _chemical_formula_sum 'Na1 Ge1 Sb1' _cell_volume 76.12788865 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.41335294 1 Na Na1 1 0.00000000 0.00000000 7.13940256 1 Sb Sb2 1 -0.00000000 0.00000000 3.90195330 1 [/CIF]
GeNaSb
I4mm
107
tetragonal
4mm
4,741.897814
false
[CIF] data_BaNiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53167254 _cell_length_b 4.53167254 _cell_length_c 4.53167254 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNiB2 _chemical_formula_sum 'Ba1 Ni1 B2' _cell_volume 65.80525269 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60218819 1.60218819 1.60218819 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Ba Ba2 1 4.80656457 4.80656457 4.80656457 1 Ni Ni3 1 3.20437638 3.20437638 3.20437638 1 [/CIF]
B2BaNi
F-43m
216
cubic
-43m
5,492.019147
false
[CIF] data_Sr2TlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42336750 _cell_length_b 5.42336750 _cell_length_c 3.97238668 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2TlPt _chemical_formula_sum 'Sr2 Tl1 Pt1' _cell_volume 116.83947176 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 0.00000000 0.00000000 0.00000000 1 Sr Sr1 1 0.00000000 2.71168375 1.98619334 1 Sr Sr2 1 2.71168375 0.00000000 1.98619334 1 Tl Tl3 1 2.71168375 2.71168375 0.00000000 1 [/CIF]
PtSr2Tl
P4/mmm
123
tetragonal
4/mmm
8,167.84022
false
[CIF] data_CrReRhW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34175546 _cell_length_b 4.34175546 _cell_length_c 4.34175546 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrReRhW _chemical_formula_sum 'Cr1 Re1 Rh1 W1' _cell_volume 57.87367756 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.60512710 4.60512710 4.60512710 1 Rh Rh2 1 3.07008473 3.07008473 3.07008473 1 W W3 1 1.53504237 1.53504237 1.53504237 1 [/CIF]
CrReRhW
F-43m
216
cubic
-43m
15,062.074763
false
[CIF] data_BaMgTiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02266061 _cell_length_b 5.02266061 _cell_length_c 5.02266061 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMgTiW _chemical_formula_sum 'Ba1 Mg1 Ti1 W1' _cell_volume 89.59556296 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77577869 1.77577869 1.77577869 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 5.32733607 5.32733607 5.32733607 1 W W3 1 3.55155738 3.55155738 3.55155738 1 [/CIF]
BaMgTiW
F-43m
216
cubic
-43m
7,290.034845
false
[CIF] data_TlMo2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74627957 _cell_length_b 4.74627957 _cell_length_c 3.18460566 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlMo2Cl _chemical_formula_sum 'Tl1 Mo2 Cl1' _cell_volume 71.74015231 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 0.00000000 2.37313979 1.59230283 1 Mo Mo2 1 2.37313979 0.00000000 1.59230283 1 Tl Tl3 1 2.37313979 2.37313979 0.00000000 1 [/CIF]
ClMo2Tl
P4/mmm
123
tetragonal
4/mmm
9,993.681088
false
[CIF] data_LiCdCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07305536 _cell_length_b 5.07305536 _cell_length_c 2.73807330 _cell_angle_alpha 99.70196664 _cell_angle_beta 99.70196664 _cell_angle_gamma 117.60541322 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCdCu2 _chemical_formula_sum 'Li1 Cd1 Cu2' _cell_volume 59.04756725 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 2.62777471 -0.00000000 0.00000000 1 Cu Cu1 1 0.86848113 -2.16971719 1.29455577 1 Cu Cu2 1 0.86848113 2.16971719 1.29455577 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdCu2Li
C2/m
12
monoclinic
2/m
6,930.512276
false
[CIF] data_LiSiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35218010 _cell_length_b 4.35218010 _cell_length_c 4.35218010 _cell_angle_alpha 145.18157244 _cell_angle_beta 132.86414402 _cell_angle_gamma 59.91872819 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSiNi _chemical_formula_sum 'Li1 Si1 Ni1' _cell_volume 34.17622078 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.53888698 1 Ni Ni1 1 0.00000000 -0.00000000 2.44752054 1 Si Si2 1 -0.00000000 0.00000000 5.09615621 1 [/CIF]
LiNiSi
Imm2
44
orthorhombic
mm2
4,553.620959
false
[CIF] data_Y2TlTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23855363 _cell_length_b 6.23855363 _cell_length_c 6.23855363 _cell_angle_alpha 146.70376360 _cell_angle_beta 132.72725298 _cell_angle_gamma 59.04580954 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2TlTc _chemical_formula_sum 'Y2 Tl1 Tc1' _cell_volume 97.07193407 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tc Tc0 1 0.00000000 0.00000000 5.49094314 1 Tl Tl1 1 0.00000000 2.50122763 2.29446477 1 Y Y2 1 0.00000000 -0.00000000 10.80408795 1 Y Y3 1 1.78730248 0.00000000 3.12463293 1 [/CIF]
TcTlY2
Imm2
44
orthorhombic
mm2
8,229.848774
false
[CIF] data_LiYAlMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86121549 _cell_length_b 4.86121549 _cell_length_c 4.86121549 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiYAlMo _chemical_formula_sum 'Li1 Y1 Al1 Mo1' _cell_volume 81.23059274 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.15609766 5.15609766 5.15609766 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 1.71869922 1.71869922 1.71869922 1 Y Y3 1 3.43739844 3.43739844 3.43739844 1 [/CIF]
AlLiMoY
F-43m
216
cubic
-43m
4,472.534969
false
[CIF] data_Zn2TcRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70179656 _cell_length_b 4.70179656 _cell_length_c 2.69199935 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.86433588 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2TcRh _chemical_formula_sum 'Zn2 Tc1 Rh1' _cell_volume 56.95239495 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.80120838 -0.00000000 0.00000000 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 1.40060419 1.88812887 1.34599967 1 Zn Zn3 1 1.40060419 -1.88812887 1.34599967 1 [/CIF]
RhTcZn2
Cmmm
65
orthorhombic
mmm
9,696.665096
false
[CIF] data_NaAlSnBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33765263 _cell_length_b 5.33765263 _cell_length_c 5.33765263 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAlSnBi _chemical_formula_sum 'Na1 Al1 Sn1 Bi1' _cell_volume 107.53155413 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.66143556 5.66143556 5.66143556 1 Bi Bi1 1 1.88714519 1.88714519 1.88714518 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.77429037 3.77429037 3.77429037 1 [/CIF]
AlBiNaSn
F-43m
216
cubic
-43m
5,831.981366
false