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_TiSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09821271 _cell_length_b 4.09821271 _cell_length_c 4.09821271 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSe _chemical_formula_sum 'Ti1 Se1' _cell_volume 48.67080067 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Se Se0 1 1.44893700 1.44893700 1.44893700 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SeTi
F-43m
216
cubic
-43m
4,327.054113
false
[CIF] data_LiCdRuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45186285 _cell_length_b 4.45186285 _cell_length_c 4.45186285 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCdRuW _chemical_formula_sum 'Li1 Cd1 Ru1 W1' _cell_volume 62.38933138 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57397120 1.57397120 1.57397120 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 4.72191362 4.72191362 4.72191362 1 W W3 1 3.14794241 3.14794241 3.14794241 1 [/CIF]
CdLiRuW
F-43m
216
cubic
-43m
10,759.737752
false
[CIF] data_K4Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.04485895 _cell_length_b 8.04485895 _cell_length_c 8.04485895 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural K4Ni _chemical_formula_sum 'K4 Ni1' _cell_volume 400.80525897 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -2.32235074 2.32235074 2.32235074 1 K K1 1 2.32235074 2.32235074 2.32235074 1 K K2 1 2.32235074 -2.32235074 2.32235074 1 K K3 1 2.32235074 2.32235074 -2.32235074 1 Ni Ni4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K4Ni
Im-3m
229
cubic
m-3m
891.105329
false
[CIF] data_LiTiNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97847884 _cell_length_b 2.97847884 _cell_length_c 5.75137109 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiNi2 _chemical_formula_sum 'Li1 Ti1 Ni2' _cell_volume 51.02234667 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 1.48923942 1.48923942 1.46621452 1 Ni Ni2 1 1.48923942 1.48923942 4.28515657 1 Ti Ti3 1 0.00000000 0.00000000 2.87568555 1 [/CIF]
LiNi2Ti
P4/mmm
123
tetragonal
4/mmm
5,604.163723
false
[CIF] data_RuPtRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73638898 _cell_length_b 4.73638898 _cell_length_c 4.73638898 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RuPtRh3 _chemical_formula_sum 'Ru1 Rh3 Pt1' _cell_volume 106.25321652 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Rh Rh1 1 2.36819449 0.00000000 2.36819449 1 Rh Rh2 1 2.36819449 2.36819449 0.00000000 1 Rh Rh3 1 0.00000000 2.36819449 2.36819449 1 Pt Pt4 1 2.36819449 2.36819449 2.36819449 1 [/CIF]
PtRh3Ru
Pm-3m
221
cubic
m-3m
9,452.994727
false
[CIF] data_SrNbRuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75872860 _cell_length_b 4.75872860 _cell_length_c 4.75872860 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNbRuW _chemical_formula_sum 'Sr1 Nb1 Ru1 W1' _cell_volume 76.20049832 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 3.36492926 3.36492926 3.36492926 1 Ru Ru1 1 5.04739389 5.04739389 5.04739389 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.68246463 1.68246463 1.68246463 1 [/CIF]
NbRuSrW
F-43m
216
cubic
-43m
10,142.654038
false
[CIF] data_NbAlTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80782047 _cell_length_b 4.36928811 _cell_length_c 5.22530736 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.02487726 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAlTc2 _chemical_formula_sum 'Nb1 Al1 Tc2' _cell_volume 61.91345918 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.89213226 0.00000000 2.50949937 1 Nb Nb1 1 -0.42552689 2.18464406 3.75449399 1 Tc Tc2 1 -0.00764966 0.00000000 0.07168060 1 Tc Tc3 1 1.72087440 2.18464406 1.23433353 1 [/CIF]
AlNbTc2
Pm
6
monoclinic
m
8,520.825641
false
[CIF] data_BaMg2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02691533 _cell_length_b 6.02691533 _cell_length_c 3.50589594 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.00708007 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg2Al _chemical_formula_sum 'Ba1 Mg2 Al1' _cell_volume 119.66178640 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 3.45659158 0.00000000 0.00000000 1 Mg Mg2 1 1.72829579 -2.46858680 1.75294797 1 Mg Mg3 1 1.72829579 2.46858680 1.75294797 1 [/CIF]
AlBaMg2
Cmmm
65
orthorhombic
mmm
2,954.657138
false
[CIF] data_Al2GaSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28657832 _cell_length_b 5.28657832 _cell_length_c 5.28657832 _cell_angle_alpha 131.75816415 _cell_angle_beta 131.75816415 _cell_angle_gamma 70.61124953 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2GaSn _chemical_formula_sum 'Al2 Ga1 Sn1' _cell_volume 80.54698950 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.16043264 -0.00000000 2.15713769 1 Ga Ga2 1 0.00000000 0.00000000 4.31427537 1 Sn Sn3 1 -0.00000000 2.16043264 2.15713769 1 [/CIF]
Al2GaSn
I-4m2
119
tetragonal
-42m
4,997.184355
false
[CIF] data_BaLi2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62732321 _cell_length_b 5.62732321 _cell_length_c 5.62732321 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLi2Tl _chemical_formula_sum 'Ba1 Li2 Tl1' _cell_volume 126.00581318 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 3.97911840 3.97911840 3.97911840 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 5.96867760 5.96867760 5.96867760 1 Tl Tl3 1 1.98955920 1.98955920 1.98955920 1 [/CIF]
BaLi2Tl
F-43m
216
cubic
-43m
4,686.092578
false
[CIF] data_Zr2Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78856178 _cell_length_b 5.78856178 _cell_length_c 5.78856178 _cell_angle_alpha 147.54443683 _cell_angle_beta 147.54443683 _cell_angle_gamma 46.55832537 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Mn _chemical_formula_sum 'Zr2 Mn1' _cell_volume 55.65739274 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Zr Zr1 1 0.00000000 0.00000000 3.76541093 1 Zr Zr2 1 0.00000000 -0.00000000 6.86922099 1 [/CIF]
MnZr2
I4/mmm
139
tetragonal
4/mmm
7,082.41587
false
[CIF] data_LaMgSc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49043966 _cell_length_b 3.49043966 _cell_length_c 9.00207390 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMgSc2 _chemical_formula_sum 'La1 Mg1 Sc2' _cell_volume 109.67378786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 1.74521983 1.74521983 4.53382943 1 Mg Mg1 1 0.00000000 0.00000000 7.00422942 1 Sc Sc2 1 1.74521983 1.74521983 8.97794231 1 Sc Sc3 1 0.00000000 0.00000000 1.98918359 1 [/CIF]
LaMgSc2
P4mm
99
tetragonal
4mm
3,832.451364
false
[CIF] data_NaLaMgCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13805211 _cell_length_b 5.13805211 _cell_length_c 5.13805211 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLaMgCr _chemical_formula_sum 'Na1 La1 Mg1 Cr1' _cell_volume 95.91367159 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81657574 1.81657574 1.81657574 1 La La1 1 5.44972724 5.44972724 5.44972724 1 Mg Mg2 1 3.63315149 3.63315149 3.63315149 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrLaMgNa
F-43m
216
cubic
-43m
4,123.857635
false
[CIF] data_AgMo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22079372 _cell_length_b 5.22079372 _cell_length_c 5.22079372 _cell_angle_alpha 143.02951216 _cell_angle_beta 129.40726680 _cell_angle_gamma 64.29269894 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgMo3 _chemical_formula_sum 'Ag1 Mo3' _cell_volume 65.29356520 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 4.42040307 1 Mo Mo1 1 1.65530701 0.00000000 2.05694864 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Mo Mo3 1 0.00000000 2.23084792 2.36345443 1 [/CIF]
AgMo3
Immm
71
orthorhombic
mmm
10,064.6265
false
[CIF] data_Cu3Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.62850066 _cell_length_b 2.62850066 _cell_length_c 8.56494117 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu3Os _chemical_formula_sum 'Cu3 Os1' _cell_volume 51.24732457 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000001 1.51756557 6.49007826 1 Cu Cu1 1 -0.00000001 1.51756557 2.07486291 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 0.00000000 0.00000000 4.28247059 1 [/CIF]
Cu3Os
P-6m2
187
hexagonal
-6m2
12,341.057767
false
[CIF] data_NbSbPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14073121 _cell_length_b 5.14073121 _cell_length_c 5.14073121 _cell_angle_alpha 133.35662680 _cell_angle_beta 133.35662680 _cell_angle_gamma 68.09463959 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSbPt2 _chemical_formula_sum 'Nb1 Sb1 Pt2' _cell_volume 70.57040874 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 2.03518006 -0.00000000 2.12974187 1 Pt Pt2 1 -0.00000000 2.03518006 2.12974187 1 Sb Sb3 1 0.00000000 -0.00000000 4.25948373 1 [/CIF]
NbPt2Sb
I4/mmm
139
tetragonal
4/mmm
14,231.901653
false
[CIF] data_TcTe2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17999140 _cell_length_b 3.17999140 _cell_length_c 8.43422899 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcTe2Ru _chemical_formula_sum 'Tc1 Te2 Ru1' _cell_volume 85.28983592 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58999570 1.58999570 4.32938817 1 Tc Tc1 1 0.00000000 0.00000000 6.19833605 1 Te Te2 1 1.58999570 1.58999570 7.71118050 1 Te Te3 1 0.00000000 0.00000000 2.84666775 1 [/CIF]
RuTcTe2
P4mm
99
tetragonal
4mm
8,861.992219
false
[CIF] data_Sc2BeAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71178872 _cell_length_b 4.71178872 _cell_length_c 3.33231265 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2BeAg _chemical_formula_sum 'Sc2 Be1 Ag1' _cell_volume 73.98051633 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.35589436 2.35589436 0.00000000 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 0.00000000 2.35589436 1.66615632 1 Sc Sc3 1 2.35589436 0.00000000 1.66615632 1 [/CIF]
AgBeSc2
P4/mmm
123
tetragonal
4/mmm
4,641.580699
false
[CIF] data_In2SbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.33899510 _cell_length_b 7.33899510 _cell_length_c 7.33899510 _cell_angle_alpha 156.59606320 _cell_angle_beta 140.80785897 _cell_angle_gamma 46.15113261 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2SbW _chemical_formula_sum 'In2 Sb1 W1' _cell_volume 98.94896306 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 -0.00000000 0.00000000 12.60819245 1 In In1 1 1.48850186 0.00000000 3.46368210 1 Sb Sb2 1 0.00000000 0.00000000 7.64292879 1 W W3 1 -0.00000000 2.46140326 3.29236765 1 [/CIF]
In2SbW
Imm2
44
orthorhombic
mm2
8,982.209215
false
[CIF] data_Sc2CoBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81572331 _cell_length_b 4.81572331 _cell_length_c 4.81572331 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2CoBi _chemical_formula_sum 'Sc2 Co1 Bi1' _cell_volume 78.97135353 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.10784592 5.10784592 5.10784592 1 Co Co1 1 3.40523061 3.40523061 3.40523061 1 Sc Sc2 1 1.70261531 1.70261531 1.70261531 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCoSc2
F-43m
216
cubic
-43m
7,524.033219
false
[CIF] data_AgHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46067063 _cell_length_b 4.46067063 _cell_length_c 4.46067063 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgHg _chemical_formula_sum 'Ag1 Hg1' _cell_volume 62.76036661 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 4.73125567 4.73125567 4.73125567 1 [/CIF]
AgHg
F-43m
216
cubic
-43m
8,161.311337
false
[CIF] data_BaMn2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84375913 _cell_length_b 3.84375913 _cell_length_c 7.43283275 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMn2Bi _chemical_formula_sum 'Ba1 Mn2 Bi1' _cell_volume 109.81627039 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 0.00000000 0.00000000 3.71641638 1 Mn Mn2 1 1.92187957 1.92187957 5.04116235 1 Mn Mn3 1 1.92187957 1.92187957 2.39167040 1 [/CIF]
BaBiMn2
P4/mmm
123
tetragonal
4/mmm
6,897.980636
false
[CIF] data_MgAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68711711 _cell_length_b 5.68711711 _cell_length_c 10.28838175 _cell_angle_alpha 116.88922610 _cell_angle_beta 116.88922610 _cell_angle_gamma 30.27264082 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAl _chemical_formula_sum 'Mg4 Al4' _cell_volume 148.19868339 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 2.54405803 -0.00000000 8.14249300 1 Al Al1 1 -1.74067638 -0.00000000 5.87016950 1 Al Al2 1 7.89998197 -0.00000000 3.21912414 1 Al Al3 1 3.61524756 -0.00000000 0.94680064 1 Mg Mg4 1 4.95422286 -0.00000000 3.59784206 1 Mg Mg5 1 0.66948608 -0.00000000 1.32552345 1 Mg Mg6 1 5.48981951 -0.00000000 7.76377018 1 Mg Mg7 1 1.20508273 0.00000000 5.49145158 1 [/CIF]
Al4Mg4
C2/m
12
monoclinic
2/m
2,298.625035
false
[CIF] data_VFe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77335822 _cell_length_b 2.77335822 _cell_length_c 7.91186098 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.54557703 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFe2Cl _chemical_formula_sum 'V1 Fe2 Cl1' _cell_volume 56.20341087 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.12747845 1 Fe Fe1 1 1.53987799 0.00000000 7.73380439 1 Fe Fe2 1 0.00000000 0.00000000 5.90905653 1 V V3 1 1.53987799 0.00000000 4.00931308 1 [/CIF]
ClFe2V
Cmm2
35
orthorhombic
mm2
5,852.439303
false
[CIF] data_GaSnPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46363993 _cell_length_b 3.46363993 _cell_length_c 5.77511396 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.36929661 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSnPd2 _chemical_formula_sum 'Ga1 Sn1 Pd2' _cell_volume 69.22366809 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.10802116 1 Pd Pd1 1 2.39800447 0.00000000 0.23685255 1 Pd Pd2 1 0.00000000 0.00000000 4.25672718 1 Sn Sn3 1 2.39800447 0.00000000 3.06107005 1 [/CIF]
GaPd2Sn
Cmm2
35
orthorhombic
mm2
9,625.746674
false
[CIF] data_W2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96412027 _cell_length_b 2.96412027 _cell_length_c 6.45122969 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural W2Se _chemical_formula_sum 'W2 Se1' _cell_volume 49.08680653 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Se Se0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 1.48206013 0.85566782 4.34434671 1 W W2 1 -0.00000000 1.71133564 2.10688298 1 [/CIF]
SeW2
P-3m1
164
trigonal
-3m
15,109.216087
false
[CIF] data_BaCuTcAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01404001 _cell_length_b 5.01404001 _cell_length_c 5.01404001 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCuTcAg _chemical_formula_sum 'Ba1 Cu1 Tc1 Ag1' _cell_volume 89.13502420 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77273084 1.77273085 1.77273085 1 Ba Ba1 1 3.54546169 3.54546169 3.54546169 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 5.31819254 5.31819254 5.31819254 1 [/CIF]
AgBaCuTc
F-43m
216
cubic
-43m
7,594.258701
false
[CIF] data_Te2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.59182987 _cell_length_b 7.59182987 _cell_length_c 6.51111142 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 145.95864214 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te2Pb _chemical_formula_sum 'Te4 Pb2' _cell_volume 210.07487571 _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 Pb Pb0 1 2.22225638 -4.71210004 4.88333357 1 Pb Pb1 1 2.22225638 4.71210004 1.62777786 1 Te Te2 1 2.22225638 4.80892751 4.88333357 1 Te Te3 1 2.22225638 -0.00302836 4.88333357 1 Te Te4 1 2.22225638 0.00302836 1.62777786 1 Te Te5 1 2.22225638 -4.80892751 1.62777786 1 [/CIF]
Pb2Te4
Cmcm
63
orthorhombic
mmm
7,310.091336
false
[CIF] data_Ta2CrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49635365 _cell_length_b 4.49635365 _cell_length_c 5.19159618 _cell_angle_alpha 101.86533304 _cell_angle_beta 101.86533304 _cell_angle_gamma 38.92154367 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2CrOs _chemical_formula_sum 'Ta2 Cr1 Os1' _cell_volume 64.35439855 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 3.67340913 -0.00000000 2.53332506 1 Ta Ta2 1 1.30102211 -0.00000000 3.83313539 1 Ta Ta3 1 6.04579615 0.00000000 1.23351473 1 [/CIF]
CrOsTa2
C2/m
12
monoclinic
2/m
15,588.180018
false
[CIF] data_LaRuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37042264 _cell_length_b 5.37042264 _cell_length_c 5.37042264 _cell_angle_alpha 140.56609270 _cell_angle_beta 140.56609270 _cell_angle_gamma 56.99476796 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaRuRh _chemical_formula_sum 'La1 Ru1 Rh1' _cell_volume 61.97512598 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.39268889 1 Rh Rh1 1 0.00000000 0.00000000 2.73455622 1 Ru Ru2 1 0.00000000 0.00000000 6.75170003 1 [/CIF]
LaRhRu
I4mm
107
tetragonal
4mm
9,187.028455
false
[CIF] data_NdNiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14620537 _cell_length_b 4.14620537 _cell_length_c 4.02945600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdNiAs _chemical_formula_sum 'Nd1 Ni1 As1' _cell_volume 59.98997341 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nd Nd0 1 0.00000002 2.39381278 2.01472800 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 As As2 1 2.07310271 1.19690638 0.00000000 1 [/CIF]
AsNdNi
P-6m2
187
hexagonal
-6m2
7,691.157882
false
[CIF] data_Be2CdCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.30646619 _cell_length_b 8.30646619 _cell_length_c 8.30646619 _cell_angle_alpha 18.82443552 _cell_angle_beta 18.82443552 _cell_angle_gamma 18.82443552 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2CdCu _chemical_formula_sum 'Be2 Cd1 Cu1' _cell_volume 52.14148565 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.39233826 1 Be Be1 1 0.00000000 -0.00000000 18.07872880 1 Cd Cd2 1 -0.00000000 0.00000000 12.23553353 1 Cu Cu3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Be2CdCu
R-3m
166
trigonal
-3m
6,177.684221
false
[CIF] data_SrYHfCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21930410 _cell_length_b 5.21930410 _cell_length_c 5.21930410 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrYHfCr _chemical_formula_sum 'Sr1 Y1 Hf1 Cr1' _cell_volume 100.53627870 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.69060532 3.69060532 3.69060532 1 Sr Sr2 1 1.84530266 1.84530266 1.84530266 1 Y Y3 1 5.53590798 5.53590798 5.53590798 1 [/CIF]
CrHfSrY
F-43m
216
cubic
-43m
6,722.540881
false
[CIF] data_SrScAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62916120 _cell_length_b 3.62916120 _cell_length_c 7.37813969 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrScAl2 _chemical_formula_sum 'Sr1 Sc1 Al2' _cell_volume 97.17608350 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81458060 1.81458060 5.92734782 1 Al Al1 1 1.81458060 1.81458060 1.45079187 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 3.68906985 1 [/CIF]
Al2ScSr
P4/mmm
123
tetragonal
4/mmm
3,187.567021
false
[CIF] data_MgGaPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10141164 _cell_length_b 4.10141164 _cell_length_c 3.65787017 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgGaPt2 _chemical_formula_sum 'Mg1 Ga1 Pt2' _cell_volume 61.53114633 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 2.05070582 2.05070582 0.00000000 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 0.00000000 2.05070582 1.82893509 1 Pt Pt3 1 2.05070582 0.00000000 1.82893509 1 [/CIF]
GaMgPt2
P4/mmm
123
tetragonal
4/mmm
13,066.981875
false
[CIF] data_LiPdBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72117200 _cell_length_b 7.72117200 _cell_length_c 7.72117200 _cell_angle_alpha 152.42297574 _cell_angle_beta 152.42297574 _cell_angle_gamma 39.39593704 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiPdBr2 _chemical_formula_sum 'Li1 Pd1 Br2' _cell_volume 98.47164619 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.26934829 1 Br Br1 1 -0.00000000 1.84025440 3.63467415 1 Li Li2 1 -0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 1.84025440 0.00000000 3.63467415 1 [/CIF]
Br2LiPd
I-4m2
119
tetragonal
-42m
4,606.481295
false
[CIF] data_BeCdPt4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28469295 _cell_length_b 5.28469295 _cell_length_c 5.28469295 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCdPt4 _chemical_formula_sum 'Be1 Cd1 Pt4' _cell_volume 104.36245312 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 1.86842111 1.86842111 1.86842111 1 Pt Pt2 1 2.80036250 2.80036250 4.67332194 1 Pt Pt3 1 2.80036250 4.67332194 2.80036250 1 Pt Pt4 1 4.67332194 2.80036250 2.80036250 1 Pt Pt5 1 4.67332194 4.67332194 4.67332194 1 [/CIF]
BeCdPt4
F-43m
216
cubic
-43m
14,348.132931
false
[CIF] data_KZnRePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63208272 _cell_length_b 4.63208272 _cell_length_c 4.63208272 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZnRePt _chemical_formula_sum 'K1 Zn1 Re1 Pt1' _cell_volume 70.27711434 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 3.27537710 3.27537710 3.27537710 1 Re Re2 1 1.63768855 1.63768855 1.63768855 1 Zn Zn3 1 4.91306565 4.91306565 4.91306565 1 [/CIF]
KPtReZn
F-43m
216
cubic
-43m
11,477.974125
false
[CIF] data_TaNbCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77035453 _cell_length_b 4.77035453 _cell_length_c 4.77035453 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNbCd2 _chemical_formula_sum 'Ta1 Nb1 Cd2' _cell_volume 76.76035484 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 5.05972506 5.05972506 5.05972506 1 Cd Cd1 1 1.68657502 1.68657502 1.68657502 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 3.37315004 3.37315004 3.37315004 1 [/CIF]
Cd2NbTa
Fm-3m
225
cubic
m-3m
10,787.748612
false
[CIF] data_Be2FeB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51357970 _cell_length_b 3.51357970 _cell_length_c 3.51357970 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2FeB _chemical_formula_sum 'Be2 Fe1 B1' _cell_volume 30.67145855 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Be Be1 1 3.72671405 3.72671405 3.72671405 1 Be Be2 1 1.24223802 1.24223802 1.24223802 1 Fe Fe3 1 2.48447603 2.48447603 2.48447603 1 [/CIF]
BBe2Fe
Fm-3m
225
cubic
m-3m
4,584.557085
false
[CIF] data_Tl2CuB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46676880 _cell_length_b 6.46676880 _cell_length_c 4.27868253 _cell_angle_alpha 103.41209636 _cell_angle_beta 103.41209636 _cell_angle_gamma 31.28646923 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2CuB _chemical_formula_sum 'Tl2 Cu1 B1' _cell_volume 90.18579689 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.65680714 -0.00000000 1.25070094 1 Cu Cu1 1 10.04415074 -0.00000000 1.62430339 1 Tl Tl2 1 0.19841337 0.00000000 0.13109932 1 Tl Tl3 1 2.23639110 -0.00000000 3.22294795 1 [/CIF]
BCuTl2
Cm
8
monoclinic
m
8,895.476222
false
[CIF] data_ReSnIrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50876601 _cell_length_b 4.50876601 _cell_length_c 4.50876601 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSnIrRh _chemical_formula_sum 'Re1 Sn1 Ir1 Rh1' _cell_volume 64.81239861 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 3.18817902 3.18817902 3.18817902 1 Re Re1 1 1.59408951 1.59408951 1.59408951 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 4.78226853 4.78226853 4.78226853 1 [/CIF]
IrReRhSn
F-43m
216
cubic
-43m
15,373.43244
false
[CIF] data_Al2TlB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79943108 _cell_length_b 4.79943108 _cell_length_c 3.51207680 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.31155229 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2TlB _chemical_formula_sum 'Al2 Tl1 B1' _cell_volume 73.13246431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.56771774 2.71948494 1.75603840 1 Al Al1 1 2.56771774 -2.71948494 1.75603840 1 B B2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 2.56771774 0.00000000 0.00000000 1 [/CIF]
Al2BTl
Cmmm
65
orthorhombic
mmm
6,111.605885
false
[CIF] data_BaSr2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83075280 _cell_length_b 3.83075280 _cell_length_c 10.90953104 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSr2Ir _chemical_formula_sum 'Ba1 Sr2 Ir1' _cell_volume 160.09373530 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.48136930 1 Ir Ir1 1 1.91537640 1.91537640 8.27079891 1 Sr Sr2 1 0.00000000 0.00000000 9.92237798 1 Sr Sr3 1 1.91537640 1.91537640 2.59928141 1 [/CIF]
BaIrSr2
P4mm
99
tetragonal
4mm
5,235.76735
false
[CIF] data_MgFeCoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28130168 _cell_length_b 4.28130168 _cell_length_c 4.28130168 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgFeCoPt _chemical_formula_sum 'Mg1 Fe1 Co1 Pt1' _cell_volume 55.48971521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.02733745 3.02733745 3.02733745 1 Fe Fe1 1 1.51366873 1.51366873 1.51366873 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 4.54100618 4.54100618 4.54100618 1 [/CIF]
CoFeMgPt
F-43m
216
cubic
-43m
10,000.009551
false
[CIF] data_ScVCoMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34905061 _cell_length_b 4.34905061 _cell_length_c 4.34905061 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScVCoMo _chemical_formula_sum 'Sc1 V1 Co1 Mo1' _cell_volume 58.16589135 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.07524318 3.07524318 3.07524318 1 Mo Mo1 1 1.53762159 1.53762159 1.53762159 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 4.61286477 4.61286477 4.61286477 1 [/CIF]
CoMoScV
F-43m
216
cubic
-43m
7,159.653033
false
[CIF] data_MnTlPbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07969872 _cell_length_b 5.07969872 _cell_length_c 5.07969872 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTlPbAu _chemical_formula_sum 'Mn1 Tl1 Pb1 Au1' _cell_volume 92.68274034 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.59188941 3.59188941 3.59188941 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 5.38783411 5.38783412 5.38783412 1 Tl Tl3 1 1.79594470 1.79594470 1.79594471 1 [/CIF]
AuMnPbTl
F-43m
216
cubic
-43m
11,887.300671
false
[CIF] data_VCr13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.96976769 _cell_length_b 7.96976769 _cell_length_c 7.96976769 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCr13 _chemical_formula_sum 'V2 Cr26' _cell_volume 357.94968925 _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 4.25265555 7.70645036 5.63547678 1 Cr Cr1 1 7.01829801 7.70645036 5.63547678 1 Cr Cr2 1 4.25265555 3.56450320 5.63547678 1 Cr Cr3 1 7.01829801 3.56450320 5.63547678 1 Cr Cr4 1 5.63547678 7.01829801 3.56450320 1 Cr Cr5 1 5.63547678 4.25265555 3.56450320 1 Cr Cr6 1 5.63547678 7.01829801 7.70645036 1 Cr Cr7 1 5.63547678 4.25265555 7.70645036 1 Cr Cr8 1 3.56450320 5.63547678 4.25265555 1 Cr Cr9 1 3.56450320 5.63547678 7.01829801 1 Cr Cr10 1 7.70645036 5.63547678 4.25265555 1 Cr Cr11 1 7.70645036 5.63547678 7.01829801 1 Cr Cr12 1 5.63547678 9.19997998 4.25265555 1 Cr Cr13 1 5.63547678 9.19997998 7.01829801 1 Cr Cr14 1 5.63547678 2.07097358 4.25265555 1 Cr Cr15 1 5.63547678 2.07097358 7.01829801 1 Cr Cr16 1 9.19997998 4.25265555 5.63547678 1 Cr Cr17 1 9.19997998 7.01829801 5.63547678 1 Cr Cr18 1 2.07097358 4.25265555 5.63547678 1 Cr Cr19 1 2.07097358 7.01829801 5.63547678 1 Cr Cr20 1 4.25265555 5.63547678 9.19997998 1 Cr Cr21 1 7.01829801 5.63547678 9.19997998 1 Cr Cr22 1 4.25265555 5.63547678 2.07097358 1 Cr Cr23 1 7.01829801 5.63547678 2.07097358 1 Cr Cr24 1 5.63547678 5.63547678 5.63547678 1 Cr Cr25 1 0.00000000 0.00000000 0.00000000 1 V V26 1 8.45321517 8.45321517 8.45321517 1 V V27 1 2.81773839 2.81773839 2.81773839 1 [/CIF]
Cr26V2
Fm-3c
226
cubic
m-3m
6,744.135317
false
[CIF] data_KW4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05437566 _cell_length_b 5.05437566 _cell_length_c 5.05437566 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural KW4 _chemical_formula_sum 'K1 W4' _cell_volume 99.39869021 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 1.45907257 1.45907257 -1.45907257 1 W W2 1 -1.45907257 1.45907257 1.45907258 1 W W3 1 1.45907257 1.45907257 1.45907257 1 W W4 1 1.45907257 -1.45907257 1.45907258 1 [/CIF]
KW4
Im-3m
229
cubic
m-3m
12,937.979966
false
[CIF] data_ScTiVCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54425518 _cell_length_b 4.54425518 _cell_length_c 4.54425518 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTiVCu _chemical_formula_sum 'Sc1 Ti1 V1 Cu1' _cell_volume 66.35492058 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.60663683 1.60663683 1.60663683 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 3.21327365 3.21327365 3.21327365 1 V V3 1 4.81991048 4.81991048 4.81991048 1 [/CIF]
CuScTiV
F-43m
216
cubic
-43m
5,187.96549
false
[CIF] data_HfZnSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10675961 _cell_length_b 3.69405359 _cell_length_c 5.64060054 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZnSi2 _chemical_formula_sum 'Hf1 Zn1 Si2' _cell_volume 64.73455793 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.82030027 1 Si Si1 1 1.55337981 1.84702680 4.33749981 1 Si Si2 1 1.55337981 1.84702680 1.30310073 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfSi2Zn
Pmmm
47
orthorhombic
mmm
7,696.504279
false
[CIF] data_SrYTlSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55204930 _cell_length_b 5.55204930 _cell_length_c 5.55204930 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrYTlSn _chemical_formula_sum 'Sr1 Y1 Tl1 Sn1' _cell_volume 121.01659908 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96294586 1.96294586 1.96294586 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.88883757 5.88883757 5.88883756 1 Y Y3 1 3.92589171 3.92589171 3.92589171 1 [/CIF]
SnSrTlY
F-43m
216
cubic
-43m
6,855.564636
false
[CIF] data_NaAlRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.65261229 _cell_length_b 2.65261229 _cell_length_c 9.36490217 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAlRe2 _chemical_formula_sum 'Na1 Al1 Re2' _cell_volume 65.89474775 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.68245109 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 1.32630615 1.32630615 2.66429229 1 Re Re3 1 1.32630615 1.32630615 6.70060988 1 [/CIF]
AlNaRe2
P4/mmm
123
tetragonal
4/mmm
10,644.054782
false
[CIF] data_LiTiSnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56284278 _cell_length_b 4.56284278 _cell_length_c 4.56284278 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiSnW _chemical_formula_sum 'Li1 Ti1 Sn1 W1' _cell_volume 67.17250059 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 4.83962561 4.83962561 4.83962561 1 Ti Ti2 1 3.22641707 3.22641707 3.22641707 1 W W3 1 1.61320854 1.61320854 1.61320854 1 [/CIF]
LiSnTiW
F-43m
216
cubic
-43m
8,834.075172
false
[CIF] data_CaMg2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10201219 _cell_length_b 5.10201219 _cell_length_c 5.10201219 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg2Al _chemical_formula_sum 'Ca1 Mg2 Al1' _cell_volume 93.90948886 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 3.60766741 3.60766741 3.60766741 1 Ca Ca1 1 5.41150112 5.41150112 5.41150112 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Mg Mg3 1 1.80383371 1.80383371 1.80383371 1 [/CIF]
AlCaMg2
F-43m
216
cubic
-43m
2,045.317465
false
[CIF] data_Te2OsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.22074217 _cell_length_b 8.22074217 _cell_length_c 8.22074217 _cell_angle_alpha 23.35985197 _cell_angle_beta 23.35985197 _cell_angle_gamma 23.35985197 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te2OsRh _chemical_formula_sum 'Te2 Os1 Rh1' _cell_volume 76.68879159 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.98946428 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 0.00000000 0.00000000 17.98861190 1 Te Te3 1 -0.00000000 0.00000000 5.99031666 1 [/CIF]
OsRhTe2
R-3m
166
trigonal
-3m
11,873.084715
false
[CIF] data_CaVCoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77745577 _cell_length_b 4.77745577 _cell_length_c 4.77745577 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaVCoPb _chemical_formula_sum 'Ca1 V1 Co1 Pb1' _cell_volume 77.10366580 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 5.06725706 5.06725706 5.06725706 1 Pb Pb2 1 3.37817137 3.37817137 3.37817137 1 V V3 1 1.68908569 1.68908569 1.68908569 1 [/CIF]
CaCoPbV
F-43m
216
cubic
-43m
7,691.80034
false
[CIF] data_AlBi2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29666312 _cell_length_b 5.29666312 _cell_length_c 5.29666312 _cell_angle_alpha 126.77402588 _cell_angle_beta 126.77402588 _cell_angle_gamma 78.61965357 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlBi2Mo _chemical_formula_sum 'Al1 Bi2 Mo1' _cell_volume 92.28672434 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.37270249 -0.00000000 2.04909773 1 Bi Bi2 1 -0.00000000 2.37270249 2.04909773 1 Mo Mo3 1 0.00000000 -0.00000000 4.09819546 1 [/CIF]
AlBi2Mo
I4/mmm
139
tetragonal
4/mmm
9,732.596653
false
[CIF] data_SrZn2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44178547 _cell_length_b 3.56365668 _cell_length_c 7.32762617 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZn2Ga _chemical_formula_sum 'Sr1 Zn2 Ga1' _cell_volume 89.87583942 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.17484008 1 Sr Sr1 1 1.72089273 1.78182834 5.48994780 1 Zn Zn2 1 0.00000000 0.00000000 0.50587740 1 Zn Zn3 1 1.72089273 1.78182834 1.82077397 1 [/CIF]
GaSrZn2
Pmm2
25
orthorhombic
mm2
5,322.968773
false
[CIF] data_BaZrZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95891913 _cell_length_b 5.95891913 _cell_length_c 5.95891913 _cell_angle_alpha 136.42265570 _cell_angle_beta 136.42265570 _cell_angle_gamma 63.32757540 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZrZn2 _chemical_formula_sum 'Ba1 Zr1 Zn2' _cell_volume 99.25310992 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.21185698 2.53594630 1 Zn Zn1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 2.21185698 -0.00000000 2.53594630 1 Zr Zr3 1 0.00000000 0.00000000 5.07189260 1 [/CIF]
BaZn2Zr
I-4m2
119
tetragonal
-42m
6,011.398062
false
[CIF] data_LaInCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29569321 _cell_length_b 3.29569321 _cell_length_c 7.44045537 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaInCu2 _chemical_formula_sum 'La1 In1 Cu2' _cell_volume 80.81520343 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.47777485 1 Cu Cu1 1 1.64784661 1.64784661 1.60241739 1 In In2 1 0.00000000 0.00000000 3.24616867 1 La La3 1 1.64784661 1.64784661 5.83432222 1 [/CIF]
Cu2InLa
P4mm
99
tetragonal
4mm
7,824.7525
false
[CIF] data_KMn3Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76451020 _cell_length_b 4.76451020 _cell_length_c 4.76451020 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMn3Co _chemical_formula_sum 'K1 Mn3 Co1' _cell_volume 108.15703750 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 2.38225510 0.00000000 2.38225510 1 Mn Mn2 1 2.38225510 2.38225510 0.00000000 1 Mn Mn3 1 0.00000000 2.38225510 2.38225510 1 Co Co4 1 2.38225510 2.38225510 2.38225510 1 [/CIF]
CoKMn3
Pm-3m
221
cubic
m-3m
4,035.478848
false
[CIF] data_AgHg2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81121640 _cell_length_b 4.81121640 _cell_length_c 3.21068319 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgHg2Ir _chemical_formula_sum 'Ag1 Hg2 Ir1' _cell_volume 74.32026277 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 0.00000000 2.40560820 1.60534160 1 Hg Hg2 1 2.40560820 0.00000000 1.60534160 1 Ir Ir3 1 2.40560820 2.40560820 0.00000000 1 [/CIF]
AgHg2Ir
P4/mmm
123
tetragonal
4/mmm
15,668.381908
false
[CIF] data_La2SmSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45643449 _cell_length_b 5.45643449 _cell_length_c 5.45643449 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2SmSi _chemical_formula_sum 'La2 Sm1 Si1' _cell_volume 114.87137973 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.78742274 5.78742274 5.78742274 1 La La1 1 1.92914091 1.92914091 1.92914091 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Sm Sm3 1 3.85828183 3.85828183 3.85828183 1 [/CIF]
La2SiSm
Fm-3m
225
cubic
m-3m
6,595.477871
false
[CIF] data_MoSeI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74304382 _cell_length_b 5.74304382 _cell_length_c 5.74304382 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoSeI3 _chemical_formula_sum 'Mo1 Se1 I3' _cell_volume 189.42024326 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.87152191 0.00000000 1 I I1 1 0.00000000 0.00000000 2.87152191 1 I I2 1 2.87152191 0.00000000 0.00000000 1 Mo Mo3 1 2.87152191 2.87152191 2.87152191 1 Se Se4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
I3MoSe
Pm-3m
221
cubic
m-3m
4,870.920701
false
[CIF] data_SrLi4Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46968795 _cell_length_b 5.46968795 _cell_length_c 5.46968795 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLi4Pt _chemical_formula_sum 'Sr1 Li4 Pt1' _cell_volume 115.71046866 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.80624882 4.80624882 2.92905806 1 Li Li1 1 4.80624882 2.92905806 4.80624882 1 Li Li2 1 2.92905806 4.80624882 4.80624882 1 Li Li3 1 2.92905806 2.92905806 2.92905806 1 Pt Pt4 1 5.80148016 5.80148016 5.80148016 1 Sr Sr5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Li4PtSr
F-43m
216
cubic
-43m
4,455.46759
false
[CIF] data_HfInTcPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62948020 _cell_length_b 4.62948020 _cell_length_c 4.62948020 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfInTcPt _chemical_formula_sum 'Hf1 In1 Tc1 Pt1' _cell_volume 70.15872598 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.63676842 1.63676842 1.63676842 1 In In1 1 4.91030526 4.91030526 4.91030526 1 Pt Pt2 1 3.27353684 3.27353684 3.27353684 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfInPtTc
F-43m
216
cubic
-43m
13,900.360807
false
[CIF] data_Nb3Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61807741 _cell_length_b 4.61807741 _cell_length_c 4.61807741 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Se _chemical_formula_sum 'Nb3 Se1' _cell_volume 69.64158186 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 4.89821078 4.89821078 4.89821078 1 Nb Nb1 1 1.63273693 1.63273693 1.63273693 1 Nb Nb2 1 3.26547385 3.26547385 3.26547385 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb3Se
Fm-3m
225
cubic
m-3m
8,528.528063
false
[CIF] data_TcTeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52725119 _cell_length_b 4.52725119 _cell_length_c 4.52725119 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcTeIr2 _chemical_formula_sum 'Tc1 Te1 Ir2' _cell_volume 65.61283123 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 3.20125002 3.20125002 3.20125002 1 Ir Ir1 1 1.60062501 1.60062501 1.60062501 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 4.80187503 4.80187503 4.80187503 1 [/CIF]
Ir2TcTe
F-43m
216
cubic
-43m
15,461.763353
false
[CIF] data_NiBiPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45995646 _cell_length_b 3.45995646 _cell_length_c 5.74995584 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiBiPd2 _chemical_formula_sum 'Ni1 Bi1 Pd2' _cell_volume 68.83443890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72997823 1.72997823 2.92752993 1 Ni Ni1 1 0.00000000 0.00000000 4.41580204 1 Pd Pd2 1 1.72997823 1.72997823 5.66399498 1 Pd Pd3 1 0.00000000 0.00000000 1.36756265 1 [/CIF]
BiNiPd2
P4mm
99
tetragonal
4mm
11,591.754791
false
[CIF] data_VGeW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07980140 _cell_length_b 5.07980140 _cell_length_c 5.07980140 _cell_angle_alpha 142.99267854 _cell_angle_beta 129.15690089 _cell_angle_gamma 64.53213552 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGeW2 _chemical_formula_sum 'V1 Ge1 W2' _cell_volume 60.40164397 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.29536904 1 V V1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 0.00000000 2.18063102 2.21324817 1 W W3 1 1.61215242 0.00000000 2.08212087 1 [/CIF]
GeVW2
Immm
71
orthorhombic
mmm
13,505.574667
false
[CIF] data_KHfVGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01159659 _cell_length_b 5.01159659 _cell_length_c 5.01159659 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfVGa _chemical_formula_sum 'K1 Hf1 V1 Ga1' _cell_volume 89.00477694 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.31560090 5.31560090 5.31560090 1 Hf Hf1 1 3.54373393 3.54373393 3.54373393 1 K K2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 1.77186697 1.77186697 1.77186697 1 [/CIF]
GaHfKV
F-43m
216
cubic
-43m
6,310.694865
false
[CIF] data_Zr2PIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78868877 _cell_length_b 3.78868877 _cell_length_c 5.50874942 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2PIr _chemical_formula_sum 'Zr2 P1 Ir1' _cell_volume 79.07348467 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89434438 1.89434438 2.75437471 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.89434438 1.89434438 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 2.75437471 1 [/CIF]
IrPZr2
P4/mmm
123
tetragonal
4/mmm
8,518.444492
false
[CIF] data_MnFeReHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43817004 _cell_length_b 4.43817004 _cell_length_c 4.43817004 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnFeReHg _chemical_formula_sum 'Mn1 Fe1 Re1 Hg1' _cell_volume 61.81541849 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 4.70739020 4.70739020 4.70739020 1 Hg Hg1 1 1.56913007 1.56913007 1.56913007 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 3.13826013 3.13826013 3.13826013 1 [/CIF]
FeHgMnRe
F-43m
216
cubic
-43m
13,366.424166
false
[CIF] data_SrMo2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38261158 _cell_length_b 3.38261158 _cell_length_c 8.27602378 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMo2Pb _chemical_formula_sum 'Sr1 Mo2 Pb1' _cell_volume 94.69476977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69130579 1.69130579 0.58081300 1 Mo Mo1 1 0.00000000 0.00000000 1.69243048 1 Pb Pb2 1 1.69130579 1.69130579 3.72164811 1 Sr Sr3 1 0.00000000 0.00000000 6.41914408 1 [/CIF]
Mo2PbSr
P4mm
99
tetragonal
4mm
8,535.326579
false
[CIF] data_Sr2ScCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85356547 _cell_length_b 3.85356547 _cell_length_c 9.70803831 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ScCd _chemical_formula_sum 'Sr2 Sc1 Cd1' _cell_volume 144.16404690 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92678273 1.92678273 5.31148697 1 Sc Sc1 1 0.00000000 0.00000000 6.65458659 1 Sr Sr2 1 1.92678273 1.92678273 9.27945948 1 Sr Sr3 1 0.00000000 0.00000000 3.02456273 1 [/CIF]
CdScSr2
P4mm
99
tetragonal
4mm
3,831.099245
false
[CIF] data_TiFeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01971554 _cell_length_b 4.01971554 _cell_length_c 4.01971554 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiFeRh _chemical_formula_sum 'Ti1 Fe1 Rh1' _cell_volume 45.92730544 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 4.26355218 4.26355218 4.26355218 1 Rh Rh1 1 2.84236812 2.84236812 2.84236812 1 Ti Ti2 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
FeRhTi
F-43m
216
cubic
-43m
7,470.423691
false
[CIF] data_BeHg2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58483207 _cell_length_b 5.58483207 _cell_length_c 5.58483207 _cell_angle_alpha 149.60977334 _cell_angle_beta 129.94681416 _cell_angle_gamma 59.69013901 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeHg2W _chemical_formula_sum 'Be1 Hg2 W1' _cell_volume 67.01245905 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 -0.00000000 2.36260102 2.81705590 1 Hg Hg2 1 1.46382287 0.00000000 2.02708369 1 W W3 1 -0.00000000 -0.00000000 4.84413958 1 [/CIF]
BeHg2W
Immm
71
orthorhombic
mmm
14,720.474703
false
[CIF] data_HfMgIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45645441 _cell_length_b 4.45645441 _cell_length_c 4.45645441 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMgIr _chemical_formula_sum 'Hf1 Mg1 Ir1' _cell_volume 62.58257158 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.15118913 3.15118913 3.15118913 1 Ir Ir1 1 1.57559457 1.57559457 1.57559456 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfIrMg
F-43m
216
cubic
-43m
10,481.078696
false
[CIF] data_LiTlV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05969650 _cell_length_b 5.05969650 _cell_length_c 5.05969650 _cell_angle_alpha 145.75913273 _cell_angle_beta 127.81068295 _cell_angle_gamma 63.91310114 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTlV _chemical_formula_sum 'Li1 Tl1 V1' _cell_volume 56.92191553 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.01881878 1 Tl Tl1 1 0.00000000 0.00000000 5.76448200 1 V V2 1 -0.00000000 0.00000000 2.80249535 1 [/CIF]
LiTlV
Imm2
44
orthorhombic
mm2
7,650.877569
false
[CIF] data_NaPt2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.17128721 _cell_length_b 10.17128721 _cell_length_c 10.17128721 _cell_angle_alpha 17.00593325 _cell_angle_beta 17.00593325 _cell_angle_gamma 17.00593325 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaPt2Pb _chemical_formula_sum 'Na1 Pt2 Pb1' _cell_volume 78.52345665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 -0.00000000 0.00000000 15.03291376 1 Pt Pt2 1 0.00000000 -0.00000000 22.46528645 1 Pt Pt3 1 0.00000000 0.00000000 7.60054108 1 [/CIF]
NaPbPt2
R-3m
166
trigonal
-3m
13,118.73363
false
[CIF] data_HfGaAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61426569 _cell_length_b 3.61426569 _cell_length_c 5.78894178 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGaAs2 _chemical_formula_sum 'Hf1 Ga1 As2' _cell_volume 75.62046297 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80713284 1.80713284 4.23650372 1 As As1 1 1.80713284 1.80713284 1.55243806 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Hf Hf3 1 0.00000000 0.00000000 2.89447089 1 [/CIF]
As2GaHf
P4/mmm
123
tetragonal
4/mmm
8,740.859879
false
[CIF] data_MgZrTiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63923848 _cell_length_b 4.63923848 _cell_length_c 4.63923848 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZrTiOs _chemical_formula_sum 'Mg1 Zr1 Ti1 Os1' _cell_volume 70.60331564 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 3.28043699 3.28043699 3.28043699 1 Ti Ti2 1 4.92065549 4.92065549 4.92065549 1 Zr Zr3 1 1.64021850 1.64021850 1.64021850 1 [/CIF]
MgOsTiZr
F-43m
216
cubic
-43m
8,317.028495
false
[CIF] data_ZnReB4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16984448 _cell_length_b 4.16984448 _cell_length_c 4.16984448 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnReB4 _chemical_formula_sum 'Zn1 Re1 B4' _cell_volume 51.26778755 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.72834849 3.72834849 2.16870213 1 B B1 1 3.72834849 2.16870213 3.72834849 1 B B2 1 2.16870213 3.72834849 3.72834849 1 B B3 1 2.16870213 2.16870213 2.16870213 1 Re Re4 1 4.42278796 4.42278796 4.42278796 1 Zn Zn5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B4ReZn
F-43m
216
cubic
-43m
9,549.434781
false
[CIF] data_NbTl3Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80703612 _cell_length_b 5.80703612 _cell_length_c 5.80703612 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTl3Pb _chemical_formula_sum 'Nb1 Tl3 Pb1' _cell_volume 195.82294700 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.90351806 2.90351806 2.90351806 1 Tl Tl1 1 2.90351806 0.00000000 2.90351806 1 Tl Tl2 1 2.90351806 2.90351806 0.00000000 1 Tl Tl3 1 0.00000000 2.90351806 2.90351806 1 Nb Nb4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbPbTl3
Pm-3m
221
cubic
m-3m
7,744.228927
false
[CIF] data_KScV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22847014 _cell_length_b 5.22847014 _cell_length_c 5.22847014 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KScV _chemical_formula_sum 'K1 Sc1 V1' _cell_volume 101.06688909 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Sc Sc1 1 5.54563003 5.54563004 5.54563003 1 V V2 1 1.84854334 1.84854334 1.84854334 1 [/CIF]
KScV
F-43m
216
cubic
-43m
2,217.993011
false
[CIF] data_Al2FePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97547792 _cell_length_b 2.97547792 _cell_length_c 8.24205115 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2FePb _chemical_formula_sum 'Al2 Fe1 Pb1' _cell_volume 72.97074307 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.48773896 1.48773896 6.89518592 1 Al Al1 1 1.48773896 1.48773896 1.34686523 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 0.00000000 0.00000000 4.12102557 1 [/CIF]
Al2FePb
P4/mmm
123
tetragonal
4/mmm
7,214.489244
false
[CIF] data_Ta2BeTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76024334 _cell_length_b 2.76024334 _cell_length_c 7.89650758 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2BeTc _chemical_formula_sum 'Ta2 Be1 Tc1' _cell_volume 60.16304349 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.79457034 1 Ta Ta1 1 1.38012167 1.38012167 7.58483108 1 Ta Ta2 1 0.00000000 0.00000000 2.07091376 1 Tc Tc3 1 1.38012167 1.38012167 4.29095369 1 [/CIF]
BeTa2Tc
P4mm
99
tetragonal
4mm
12,967.175389
false
[CIF] data_GaBi2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41957285 _cell_length_b 3.41957285 _cell_length_c 8.30211698 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaBi2Pd _chemical_formula_sum 'Ga1 Bi2 Pd1' _cell_volume 97.08062621 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70978642 1.70978642 5.96408667 1 Bi Bi1 1 1.70978642 1.70978642 2.33803031 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 4.15105849 1 [/CIF]
Bi2GaPd
P4/mmm
123
tetragonal
4/mmm
10,162.050561
false
[CIF] data_Hf2CuSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58622285 _cell_length_b 4.58622285 _cell_length_c 4.58622285 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2CuSi _chemical_formula_sum 'Hf2 Cu1 Si1' _cell_volume 68.21037932 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.24294928 3.24294928 3.24294928 1 Hf Hf1 1 4.86442392 4.86442392 4.86442392 1 Hf Hf2 1 1.62147464 1.62147464 1.62147464 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuHf2Si
Fm-3m
225
cubic
m-3m
10,921.166675
false
[CIF] data_CoCuReMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25823901 _cell_length_b 4.25823901 _cell_length_c 4.25823901 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoCuReMo _chemical_formula_sum 'Co1 Cu1 Re1 Mo1' _cell_volume 54.59779517 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.51654452 4.51654452 4.51654452 1 Mo Mo2 1 1.50551484 1.50551484 1.50551484 1 Re Re3 1 3.01102968 3.01102968 3.01102968 1 [/CIF]
CoCuMoRe
F-43m
216
cubic
-43m
12,306.922154
false
[CIF] data_BaHgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69488614 _cell_length_b 4.69488614 _cell_length_c 4.62697860 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHgRh _chemical_formula_sum 'Ba1 Hg1 Rh1' _cell_volume 88.32390295 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.34744310 1.35529688 2.31348930 1 Hg Hg1 1 0.00000002 2.71059377 0.00000000 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaHgRh
P-6m2
187
hexagonal
-6m2
8,287.711013
false
[CIF] data_BaTlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15959437 _cell_length_b 5.15959437 _cell_length_c 5.15959437 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTlPt _chemical_formula_sum 'Ba1 Tl1 Pt1' _cell_volume 97.12514580 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 5.47257626 5.47257625 5.47257625 1 Tl Tl2 1 3.64838417 3.64838417 3.64838417 1 [/CIF]
BaPtTl
F-43m
216
cubic
-43m
9,177.51936
false
[CIF] data_Ca2BOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63687105 _cell_length_b 4.63687105 _cell_length_c 3.54806130 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2BOs _chemical_formula_sum 'Ca2 B1 Os1' _cell_volume 76.28535147 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 0.00000000 2.31843552 1.77403065 1 Ca Ca2 1 2.31843552 0.00000000 1.77403065 1 Os Os3 1 2.31843552 2.31843552 0.00000000 1 [/CIF]
BCa2Os
P4/mmm
123
tetragonal
4/mmm
6,120.94714
false
[CIF] data_KNbSnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78544834 _cell_length_b 4.78544834 _cell_length_c 4.78544834 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNbSnRu _chemical_formula_sum 'K1 Nb1 Sn1 Ru1' _cell_volume 77.49129134 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 5.07573446 5.07573446 5.07573446 1 Ru Ru2 1 3.38382297 3.38382297 3.38382297 1 Sn Sn3 1 1.69191149 1.69191149 1.69191149 1 [/CIF]
KNbRuSn
F-43m
216
cubic
-43m
7,538.294873
false
[CIF] data_HfBe2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02088724 _cell_length_b 3.02088724 _cell_length_c 7.03854575 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBe2Tl _chemical_formula_sum 'Hf1 Be2 Tl1' _cell_volume 64.23207727 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.46501968 1 Be Be1 1 1.51044362 1.51044362 1.40103091 1 Hf Hf2 1 0.00000000 0.00000000 3.12746610 1 Tl Tl3 1 1.51044362 1.51044362 5.56430193 1 [/CIF]
Be2HfTl
P4mm
99
tetragonal
4mm
10,364.077593
false
[CIF] data_LiMn2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80196200 _cell_length_b 4.80196200 _cell_length_c 4.80196200 _cell_angle_alpha 146.02345331 _cell_angle_beta 127.13562401 _cell_angle_gamma 64.34379683 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn2Ir _chemical_formula_sum 'Li1 Mn2 Ir1' _cell_volume 48.75949470 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40301792 0.00000000 3.94994281 1 Li Li1 1 -0.00000000 -0.00000000 6.16362024 1 Mn Mn2 1 1.40301792 0.00000000 0.22739493 1 Mn Mn3 1 -0.00000000 0.00000000 1.85296793 1 [/CIF]
IrLiMn2
Imm2
44
orthorhombic
mm2
10,524.374432
false
[CIF] data_InPb2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65154009 _cell_length_b 3.65154009 _cell_length_c 9.19192316 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InPb2Br _chemical_formula_sum 'In1 Pb2 Br1' _cell_volume 122.56275974 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.81578045 1 In In1 1 1.82577005 1.82577005 6.72986314 1 Pb Pb2 1 0.00000000 0.00000000 9.16394671 1 Pb Pb3 1 1.82577005 1.82577005 2.27021769 1 [/CIF]
BrInPb2
P4mm
99
tetragonal
4mm
8,252.677073
false
[CIF] data_HfSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55247713 _cell_length_b 5.55247713 _cell_length_c 14.01956523 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 140.30054008 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSb _chemical_formula_sum 'Hf6 Sb6' _cell_volume 276.08715326 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.88536822 -4.48411106 1.52130536 1 Hf Hf1 1 1.88536822 -1.17959743 3.50489131 1 Hf Hf2 1 1.88536822 -4.48411106 5.48847725 1 Hf Hf3 1 1.88536821 4.48411106 8.53108798 1 Hf Hf4 1 1.88536821 1.17959743 10.51467392 1 Hf Hf5 1 1.88536821 4.48411106 12.49825987 1 Sb Sb6 1 1.88536822 -1.49400078 0.68997108 1 Sb Sb7 1 1.88536821 1.82053076 3.50489131 1 Sb Sb8 1 1.88536822 -1.49400078 6.31981153 1 Sb Sb9 1 1.88536821 1.49400078 7.69975370 1 Sb Sb10 1 1.88536821 -1.82053076 10.51467392 1 Sb Sb11 1 1.88536821 1.49400078 13.32959415 1 [/CIF]
Hf6Sb6
Cmcm
63
orthorhombic
mmm
10,835.205815
false
[CIF] data_AlSnPtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50818703 _cell_length_b 4.50818703 _cell_length_c 4.50818703 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSnPtRh _chemical_formula_sum 'Al1 Sn1 Pt1 Rh1' _cell_volume 64.78743377 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 4.78165443 4.78165443 4.78165443 1 Rh Rh2 1 1.59388481 1.59388481 1.59388481 1 Sn Sn3 1 3.18776962 3.18776962 3.18776962 1 [/CIF]
AlPtRhSn
F-43m
216
cubic
-43m
11,371.799357
false