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_MnP2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02335060 _cell_length_b 3.50119925 _cell_length_c 5.24621921 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.99907555 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnP2Rh _chemical_formula_sum 'Mn1 P2 Rh1' _cell_volume 55.32183951 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 1.90114636 1.75059962 1.08939955 1 P P2 1 0.66505043 1.75059962 4.13686359 1 Rh Rh3 1 1.28309840 0.00000000 2.61313157 1 [/CIF]
MnP2Rh
P2/m
10
monoclinic
2/m
6,597.243689
false
[CIF] data_LaCrFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32956216 _cell_length_b 4.32956216 _cell_length_c 4.32956216 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCrFe _chemical_formula_sum 'La1 Cr1 Fe1' _cell_volume 57.38745149 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 4.59219414 4.59219414 4.59219414 1 La La2 1 1.53073138 1.53073138 1.53073138 1 [/CIF]
CrFeLa
F-43m
216
cubic
-43m
7,139.75457
false
[CIF] data_CaSn2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93029425 _cell_length_b 3.93029425 _cell_length_c 7.10164828 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSn2Hg _chemical_formula_sum 'Ca1 Sn2 Hg1' _cell_volume 109.70067286 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.63131557 1 Hg Hg1 1 1.96514713 1.96514713 5.39455052 1 Sn Sn2 1 0.00000000 0.00000000 0.05183521 1 Sn Sn3 1 1.96514713 1.96514713 1.57477119 1 [/CIF]
CaHgSn2
P4mm
99
tetragonal
4mm
7,236.817975
false
[CIF] data_Co2HgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76876468 _cell_length_b 3.85212454 _cell_length_c 5.51727422 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2HgW _chemical_formula_sum 'Co2 Hg1 W1' _cell_volume 58.84518541 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.38438234 1.92606227 5.45864838 1 Co Co1 1 0.00000000 0.00000000 1.24119304 1 Hg Hg2 1 1.38438234 1.92606227 2.63419852 1 W W3 1 0.00000000 0.00000000 4.45914560 1 [/CIF]
Co2HgW
Pmm2
25
orthorhombic
mm2
14,174.188981
false
[CIF] data_Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83371832 _cell_length_b 2.83371832 _cell_length_c 2.83371832 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo _chemical_formula_sum Mo1 _cell_volume 16.08996265 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 [/CIF]
Mo
Fm-3m
225
cubic
m-3m
9,903.399551
false
[CIF] data_Tc4SnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14528921 _cell_length_b 5.14528921 _cell_length_c 5.14528921 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc4SnRu _chemical_formula_sum 'Tc4 Sn1 Ru1' _cell_volume 96.31953435 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 5.45740334 5.45740334 5.45740334 1 Tc Tc2 1 4.55001376 2.72652402 4.55001376 1 Tc Tc3 1 2.72652402 4.55001376 4.55001376 1 Tc Tc4 1 2.72652402 2.72652402 2.72652402 1 Tc Tc5 1 4.55001376 4.55001376 2.72652402 1 [/CIF]
RuSnTc4
F-43m
216
cubic
-43m
10,609.516741
false
[CIF] data_AgHg2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73359199 _cell_length_b 6.73359199 _cell_length_c 6.73359199 _cell_angle_alpha 143.95688986 _cell_angle_beta 143.95688986 _cell_angle_gamma 51.89176194 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgHg2Br _chemical_formula_sum 'Ag1 Hg2 Br1' _cell_volume 105.10664740 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 -0.00000000 6.05489784 1 Br Br1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 2.08320345 -0.00000000 3.02744892 1 Hg Hg3 1 -0.00000000 2.08320345 3.02744892 1 [/CIF]
AgBrHg2
I4/mmm
139
tetragonal
4/mmm
9,304.626878
false
[CIF] data_TiReSnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49304237 _cell_length_b 4.49304237 _cell_length_c 4.49304237 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiReSnRu _chemical_formula_sum 'Ti1 Re1 Sn1 Ru1' _cell_volume 64.13669034 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58853037 1.58853037 1.58853037 1 Ru Ru1 1 4.76559110 4.76559110 4.76559110 1 Sn Sn2 1 3.17706073 3.17706073 3.17706073 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ReRuSnTi
F-43m
216
cubic
-43m
11,750.564201
false
[CIF] data_ScBi2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48516574 _cell_length_b 3.48516574 _cell_length_c 7.40667433 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBi2Mo _chemical_formula_sum 'Sc1 Bi2 Mo1' _cell_volume 89.96428269 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74258287 1.74258287 2.02200920 1 Bi Bi1 1 1.74258287 1.74258287 5.38466513 1 Mo Mo2 1 0.00000000 0.00000000 3.70333717 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2MoSc
P4/mmm
123
tetragonal
4/mmm
10,315.611773
false
[CIF] data_BiMoW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51864676 _cell_length_b 5.51864676 _cell_length_c 2.93909206 _cell_angle_alpha 98.72265213 _cell_angle_beta 98.72265213 _cell_angle_gamma 120.61308206 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiMoW2 _chemical_formula_sum 'Bi1 Mo1 W2' _cell_volume 73.33695184 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.73371410 -0.00000000 0.00000000 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 0.91696353 2.39699130 1.39898583 1 W W3 1 0.91696353 -2.39699130 1.39898583 1 [/CIF]
BiMoW2
C2/m
12
monoclinic
2/m
15,229.872844
false
[CIF] data_ZnSbBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23899683 _cell_length_b 5.23899683 _cell_length_c 5.23899683 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnSbBr2 _chemical_formula_sum 'Zn1 Sb1 Br2' _cell_volume 101.67856544 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.85226509 1.85226509 1.85226509 1 Br Br1 1 5.55679528 5.55679528 5.55679528 1 Sb Sb2 1 3.70453019 3.70453019 3.70453019 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2SbZn
Fm-3m
225
cubic
m-3m
5,666.590598
false
[CIF] data_Ba3BP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06262207 _cell_length_b 6.06262207 _cell_length_c 6.55892120 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3BP _chemical_formula_sum 'Ba3 B1 P1' _cell_volume 241.07568283 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.18108292 1 Ba Ba1 1 3.03131104 3.03131104 0.30052531 1 Ba Ba2 1 3.03131104 0.00000000 3.92457412 1 Ba Ba3 1 0.00000000 3.03131104 3.92457412 1 P P4 1 3.03131104 3.03131104 3.30201188 1 [/CIF]
BBa3P
P4mm
99
tetragonal
4mm
3,125.556946
false
[CIF] data_Be2SbCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68243172 _cell_length_b 6.10978802 _cell_length_c 6.10978802 _cell_angle_alpha 31.85686101 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2SbCl _chemical_formula_sum 'Be2 Sb1 Cl1' _cell_volume 72.55302666 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.99321432 1 Be Be1 1 0.00000000 -0.00000000 3.19515192 1 Cl Cl2 1 0.00000000 0.00000000 5.25981244 1 Sb Sb3 1 1.84121586 -0.00000000 8.17743405 1 [/CIF]
Be2ClSb
Amm2
38
orthorhombic
mm2
4,010.724938
false
[CIF] data_Yb4Cu2Sn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42307700 _cell_length_b 13.98307400 _cell_length_c 8.96169900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb4Cu2Sn5 _chemical_formula_sum 'Yb8 Cu4 Sn10' _cell_volume 554.26506858 _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 Yb Yb0 1 2.21153850 10.36537309 1.84373514 1 Yb Yb1 1 2.21153850 0.00000000 2.68952237 1 Yb Yb2 1 0.00000000 10.60923791 7.11796386 1 Yb Yb3 1 0.00000000 6.99153700 6.27217663 1 Yb Yb4 1 0.00000000 3.37383609 7.11796386 1 Yb Yb5 1 2.21153850 0.00000000 7.75780228 1 Yb Yb6 1 0.00000000 6.99153700 1.20389672 1 Yb Yb7 1 2.21153850 3.61770091 1.84373514 1 Cu Cu8 1 2.21153850 8.99982804 5.57382727 1 Cu Cu9 1 0.00000000 11.97478296 3.38787173 1 Cu Cu10 1 0.00000000 2.00829104 3.38787173 1 Cu Cu11 1 2.21153850 4.98324596 5.57382727 1 Sn Sn12 1 2.21153850 5.52655830 8.19780378 1 Sn Sn13 1 0.00000000 9.28035647 3.97420881 1 Sn Sn14 1 0.00000000 0.00000000 5.33719361 1 Sn Sn15 1 2.21153850 2.28881947 4.98749019 1 Sn Sn16 1 2.21153850 6.99153700 3.62450539 1 Sn Sn17 1 2.21153850 11.69425453 4.98749019 1 Sn Sn18 1 0.00000000 12.51809530 0.76389522 1 Sn Sn19 1 0.00000000 4.70271753 3.97420881 1 Sn Sn20 1 2.21153850 8.45651570 8.19780378 1 Sn Sn21 1 0.00000000 1.46497870 0.76389522 1 [/CIF]
Cu4Sn10Yb8
Pmmn
59
orthorhombic
mmm
8,465.645907
false
[CIF] data_AlCu2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23513806 _cell_length_b 3.23513806 _cell_length_c 6.37280414 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCu2Sb _chemical_formula_sum 'Al1 Cu2 Sb1' _cell_volume 66.69852182 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 1.61756903 1.61756903 1.27253466 1 Cu Cu2 1 1.61756903 1.61756903 5.10026948 1 Sb Sb3 1 0.00000000 0.00000000 3.18640207 1 [/CIF]
AlCu2Sb
P4/mmm
123
tetragonal
4/mmm
6,867.204163
false
[CIF] data_Li2BRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72009720 _cell_length_b 4.72009720 _cell_length_c 2.50657612 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 125.18638732 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2BRu _chemical_formula_sum 'Li2 B1 Ru1' _cell_volume 45.64094456 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Li Li1 1 1.08634275 2.09515842 1.25328806 1 Li Li2 1 1.08634275 -2.09515842 1.25328806 1 Ru Ru3 1 2.17268551 -0.00000000 0.00000000 1 [/CIF]
BLi2Ru
Cmmm
65
orthorhombic
mmm
4,575.592741
false
[CIF] data_ZnPtSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46833725 _cell_length_b 3.46833725 _cell_length_c 7.07498091 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnPtSe2 _chemical_formula_sum 'Zn1 Pt1 Se2' _cell_volume 85.10751556 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73416862 1.73416862 5.35858927 1 Se Se1 1 0.00000000 0.00000000 6.24932392 1 Se Se2 1 1.73416862 1.73416862 2.60299839 1 Zn Zn3 1 0.00000000 0.00000000 3.47654070 1 [/CIF]
PtSe2Zn
P4mm
99
tetragonal
4mm
8,163.121344
false
[CIF] data_Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99992882 _cell_length_b 2.99992882 _cell_length_c 2.99992882 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Au _chemical_formula_sum Au1 _cell_volume 19.09052425 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 [/CIF]
Au4
Fm-3m
225
cubic
m-3m
17,132.619215
false
[CIF] data_SiTe2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32713669 _cell_length_b 4.54825390 _cell_length_c 6.21723714 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiTe2As _chemical_formula_sum 'Si1 Te2 As1' _cell_volume 94.08335086 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66356835 2.27412695 3.22624783 1 Si Si1 1 0.00000000 0.00000000 4.58377472 1 Te Te2 1 1.66356835 2.27412695 6.02286697 1 Te Te3 1 0.00000000 0.00000000 1.71020334 1 [/CIF]
AsSiTe2
Pmm2
25
orthorhombic
mm2
6,322.23319
false
[CIF] data_MgZnCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89490888 _cell_length_b 9.25707658 _cell_length_c 6.11309604 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZnCu _chemical_formula_sum 'Mg4 Zn4 Cu4' _cell_volume 220.41054950 _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 Cu Cu0 1 0.00000000 3.39135713 5.95938218 1 Cu Cu1 1 1.94745444 1.23718116 0.15371386 1 Cu Cu2 1 1.94745444 8.01989542 0.15371386 1 Cu Cu3 1 0.00000000 5.86571945 5.95938218 1 Mg Mg4 1 0.00000000 1.48387411 1.98221455 1 Mg Mg5 1 1.94745444 3.14466418 4.13088149 1 Mg Mg6 1 1.94745444 6.11241240 4.13088149 1 Mg Mg7 1 0.00000000 7.77320247 1.98221455 1 Zn Zn8 1 0.00000000 8.04653877 4.72050519 1 Zn Zn9 1 1.94745444 5.83907610 1.39259085 1 Zn Zn10 1 1.94745444 3.41800048 1.39259085 1 Zn Zn11 1 0.00000000 1.21053781 4.72050519 1 [/CIF]
Cu4Mg4Zn4
Pmmn
59
orthorhombic
mmm
4,617.674831
false
[CIF] data_BaGe2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19270172 _cell_length_b 5.19270172 _cell_length_c 5.19270172 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaGe2P _chemical_formula_sum 'Ba1 Ge2 P1' _cell_volume 99.00682466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83589730 1.83589730 1.83589730 1 Ge Ge1 1 5.50769190 5.50769190 5.50769190 1 Ge Ge2 1 3.67179460 3.67179460 3.67179460 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaGe2P
F-43m
216
cubic
-43m
5,259.365783
false
[CIF] data_Ga2AgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39764082 _cell_length_b 5.39764082 _cell_length_c 5.39764082 _cell_angle_alpha 149.31459693 _cell_angle_beta 123.39239911 _cell_angle_gamma 65.77303261 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2AgW _chemical_formula_sum 'Ga2 Ag1 W1' _cell_volume 66.26891305 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 -0.00000000 2.55927310 2.26470963 1 Ga Ga2 1 1.42817174 -0.00000000 2.26794667 1 W W3 1 0.00000000 -0.00000000 4.53265630 1 [/CIF]
AgGa2W
Immm
71
orthorhombic
mmm
10,803.683958
false
[CIF] data_KCd2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16292716 _cell_length_b 6.16292716 _cell_length_c 6.16292716 _cell_angle_alpha 138.50749103 _cell_angle_beta 123.71748529 _cell_angle_gamma 72.29352969 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCd2Te _chemical_formula_sum 'K1 Cd2 Te1' _cell_volume 126.31955153 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 -0.00000000 9.95202544 1 Cd Cd1 1 2.18309311 0.00000000 2.05116561 1 K K2 1 0.00000000 0.00000000 5.03115205 1 Te Te3 1 -0.00000000 2.90672585 2.87212642 1 [/CIF]
Cd2KTe
Imm2
44
orthorhombic
mm2
5,146.746847
false
[CIF] data_HfRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24441147 _cell_length_b 3.24441147 _cell_length_c 3.24441147 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfRu _chemical_formula_sum 'Hf1 Ru1' _cell_volume 34.15134285 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62220574 1.62220574 1.62220574 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2Ru2
Pm-3m
221
cubic
m-3m
13,593.231967
false
[CIF] data_Na3TaBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49722563 _cell_length_b 5.49722563 _cell_length_c 5.49722563 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3TaBr _chemical_formula_sum 'Na3 Ta1 Br1' _cell_volume 166.12335290 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.74861281 0.00000000 1 Na Na1 1 0.00000000 0.00000000 2.74861281 1 Na Na2 1 2.74861281 0.00000000 0.00000000 1 Br Br3 1 0.00000000 0.00000000 0.00000000 1 Ta Ta4 1 2.74861281 2.74861281 2.74861281 1 [/CIF]
BrNa3Ta
Pm-3m
221
cubic
m-3m
3,296.833093
false
[CIF] data_Ni4AsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70848248 _cell_length_b 4.70848248 _cell_length_c 4.70848248 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni4AsRu _chemical_formula_sum 'Ni4 As1 Ru1' _cell_volume 73.81215384 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 4.15648111 4.15648111 2.50231867 1 Ni Ni2 1 4.15648111 2.50231867 4.15648111 1 Ni Ni3 1 2.50231867 4.15648111 4.15648111 1 Ni Ni4 1 2.50231867 2.50231867 2.50231867 1 Ru Ru5 1 4.99409984 4.99409984 4.99409984 1 [/CIF]
AsNi4Ru
F-43m
216
cubic
-43m
9,240.912592
false
[CIF] data_Al2ZnGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73292315 _cell_length_b 5.73292315 _cell_length_c 5.73292315 _cell_angle_alpha 152.16583600 _cell_angle_beta 128.21455361 _cell_angle_gamma 59.80724119 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2ZnGa _chemical_formula_sum 'Al2 Zn1 Ga1' _cell_volume 68.62104234 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.50349609 2.53561593 1 Al Al1 1 1.37886799 -0.00000000 2.43405591 1 Ga Ga2 1 0.00000000 -0.00000000 4.96967184 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2GaZn
Immm
71
orthorhombic
mmm
4,575.150663
false
[CIF] data_Sc2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62897524 _cell_length_b 4.62897524 _cell_length_c 3.15168482 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Pt _chemical_formula_sum 'Sc2 Pt1' _cell_volume 67.53244842 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 0.00000000 2.31448762 1.57584241 1 Sc Sc2 1 2.31448762 0.00000000 1.57584241 1 [/CIF]
PtSc2
P4/mmm
123
tetragonal
4/mmm
7,007.693497
false
[CIF] data_Co3Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61295648 _cell_length_b 4.61295648 _cell_length_c 4.61295648 _cell_angle_alpha 132.23404706 _cell_angle_beta 132.23404706 _cell_angle_gamma 69.85962525 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co3Hg _chemical_formula_sum 'Co3 Hg1' _cell_volume 52.76739530 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 1.86764736 0.00000000 1.89097555 1 Co Co2 1 -0.00000000 1.86764736 1.89097555 1 Hg Hg3 1 0.00000000 -0.00000000 3.78195110 1 [/CIF]
Co3Hg
I4/mmm
139
tetragonal
4/mmm
11,876.086467
false
[CIF] data_NaVFeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33177243 _cell_length_b 4.33177243 _cell_length_c 4.33177243 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaVFeRh _chemical_formula_sum 'Na1 V1 Fe1 Rh1' _cell_volume 57.47538655 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.59453849 4.59453849 4.59453849 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 1.53151283 1.53151283 1.53151283 1 V V3 1 3.06302566 3.06302566 3.06302566 1 [/CIF]
FeNaRhV
F-43m
216
cubic
-43m
6,722.480546
false
[CIF] data_YbFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34460841 _cell_length_b 4.34460841 _cell_length_c 4.34460841 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbFe _chemical_formula_sum 'Yb1 Fe1' _cell_volume 57.98783821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Yb Yb1 1 4.60815311 4.60815311 4.60815311 1 [/CIF]
FeYb
F-43m
216
cubic
-43m
6,554.749126
false
[CIF] data_SrVPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08890860 _cell_length_b 5.08890860 _cell_length_c 2.88688169 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrVPt2 _chemical_formula_sum 'Sr1 V1 Pt2' _cell_volume 74.76154839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.54445430 1.44344085 1 Pt Pt1 1 2.54445430 0.00000000 1.44344085 1 Sr Sr2 1 2.54445430 2.54445430 0.00000000 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pt2SrV
P4/mmm
123
tetragonal
4/mmm
11,743.683876
false
[CIF] data_K2InSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92851270 _cell_length_b 5.92851270 _cell_length_c 5.92851270 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2InSn _chemical_formula_sum 'K2 In1 Sn1' _cell_volume 147.34054265 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 0.00000000 1 K K1 1 2.09604576 2.09604576 2.09604577 1 K K2 1 6.28813730 6.28813730 6.28813730 1 Sn Sn3 1 4.19209153 4.19209153 4.19209153 1 [/CIF]
InK2Sn
Fm-3m
225
cubic
m-3m
3,513.159834
false
[CIF] data_CoRe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18781896 _cell_length_b 6.18781896 _cell_length_c 6.18781896 _cell_angle_alpha 142.23469688 _cell_angle_beta 142.23469688 _cell_angle_gamma 54.47542721 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoRe4 _chemical_formula_sum 'Co1 Re4' _cell_volume 88.25329833 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.00256967 -0.00000000 2.75084228 1 Re Re2 1 -0.00000000 0.00000000 4.26719588 1 Re Re3 1 0.00000000 -0.00000000 6.73617322 1 Re Re4 1 0.00000000 2.00256967 2.75084227 1 [/CIF]
CoRe4
I4/mmm
139
tetragonal
4/mmm
15,123.251932
false
[CIF] data_InCu4Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97784617 _cell_length_b 4.97784617 _cell_length_c 4.97784617 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCu4Au _chemical_formula_sum 'In1 Cu4 Au1' _cell_volume 87.21866115 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.27980317 5.27980317 5.27980317 1 Cu Cu1 1 2.64025768 2.64025768 2.64025768 1 Cu Cu2 1 4.39947988 2.64025768 4.39947988 1 Cu Cu3 1 2.64025768 4.39947988 4.39947988 1 Cu Cu4 1 4.39947988 4.39947988 2.64025768 1 In In5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCu4In
F-43m
216
cubic
-43m
10,775.365121
false
[CIF] data_Li8Mn3Fe5(BO3)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04358700 _cell_length_b 9.71222806 _cell_length_c 9.77455849 _cell_angle_alpha 65.01809172 _cell_angle_beta 79.57425298 _cell_angle_gamma 78.27261999 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li8Mn3Fe5(BO3)8 _chemical_formula_sum 'Li8 Mn3 Fe5 B8 O24' _cell_volume 506.26771197 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.63655418 7.57854705 7.18086579 1 Li Li1 1 2.73528760 10.39685209 2.76722464 1 Li Li2 1 3.12698775 1.01554603 1.63264800 1 Li Li3 1 4.77508956 5.66186546 2.77782190 1 Li Li4 1 5.01062429 7.71704502 6.04533778 1 Li Li5 1 6.65843348 12.33978103 7.19647540 1 Li Li6 1 7.04513935 2.96305226 6.04545230 1 Li Li7 1 7.15546709 5.79415933 1.64524492 1 Mn Mn8 1 3.57675165 5.19187341 5.50823360 1 Mn Mn9 1 5.71047717 3.26463061 1.10556850 1 Mn Mn10 1 7.58339324 9.95292930 5.50467476 1 Fe Fe11 1 2.18102946 3.41432311 3.27108354 1 Fe Fe12 1 3.68333685 7.98747429 1.09547335 1 Fe Fe13 1 4.06499902 10.09835798 7.68025851 1 Fe Fe14 1 6.09428625 5.33357479 7.67239205 1 Fe Fe15 1 6.17437236 8.17918813 3.25965823 1 B B16 1 2.81017145 3.63131153 0.33544786 1 B B17 1 2.97193844 4.94539271 8.48144860 1 B B18 1 3.06000079 7.80230945 4.05469080 1 B B19 1 4.68415181 10.31470398 4.73579619 1 B B20 1 5.10555967 3.04055347 4.07231767 1 B B21 1 6.72005218 5.56553369 4.73391106 1 B B22 1 6.83882670 8.39296846 0.33709515 1 B B23 1 6.97984546 9.72834147 8.49201944 1 O O24 1 1.27527226 0.52199442 0.92600523 1 O O25 1 1.56515703 4.49238225 4.94560086 1 O O26 1 1.68428124 7.32682000 0.55401751 1 O O27 1 1.98471220 4.04269899 1.38317627 1 O O28 1 3.16216130 7.24278150 5.31809069 1 O O29 1 3.69597569 2.56224043 0.54209009 1 O O30 1 3.87295756 10.73580637 5.79206936 1 O O31 1 3.82905128 4.54283502 7.46178576 1 O O32 1 3.90354139 7.39540246 3.02507376 1 O O33 1 4.19758997 4.08216132 3.81559611 1 O O34 1 4.49022576 8.08694853 7.90752268 1 O O35 1 4.58946235 10.90353499 3.49773988 1 O O36 1 5.18290514 2.49095744 5.34021017 1 O O37 1 5.29217649 5.31427221 0.93736007 1 O O38 1 5.56753513 9.24101011 4.94332813 1 O O39 1 5.90530359 5.98223708 5.78760318 1 O O40 1 6.00349415 8.80427102 1.37122242 1 O O41 1 5.95899734 2.61369885 3.06338423 1 O O42 1 6.07229041 10.78113729 8.25924963 1 O O43 1 6.62420052 6.15513588 3.49603093 1 O O44 1 7.81698461 9.30910991 7.46531818 1 O O45 1 8.11119167 5.99502256 8.23433769 1 O O46 1 8.19142768 8.83993562 3.81967469 1 O O47 1 8.51546708 12.82945509 7.89911886 1 [/CIF]
B8Fe5Li8Mn3O24
P1
1
triclinic
1
3,181.697151
true
[CIF] data_CdSb2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05809026 _cell_length_b 4.16064683 _cell_length_c 6.72424715 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSb2Pb _chemical_formula_sum 'Cd1 Sb2 Pb1' _cell_volume 113.53407420 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 0.00000000 0.00000000 3.36212358 1 Sb Sb2 1 2.02904513 2.08032342 5.23859817 1 Sb Sb3 1 2.02904513 2.08032342 1.48564898 1 [/CIF]
CdPbSb2
Pmmm
47
orthorhombic
mmm
8,236.302905
false
[CIF] data_BP2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.14301342 _cell_length_b 7.14301342 _cell_length_c 2.27758143 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 142.53244937 _symmetry_Int_Tables_number 1 _chemical_formula_structural BP2Cl _chemical_formula_sum 'B1 P2 Cl1' _cell_volume 70.69085605 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 2.29413095 -0.00000000 0.00000000 1 P P2 1 1.14706548 -3.38229227 1.13879071 1 P P3 1 1.14706548 3.38229226 1.13879071 1 [/CIF]
BClP2
Cmmm
65
orthorhombic
mmm
2,541.90532
false
[CIF] data_Ni2HgBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51151148 _cell_length_b 4.51151148 _cell_length_c 3.21461310 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2HgBr _chemical_formula_sum 'Ni2 Hg1 Br1' _cell_volume 65.42938585 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 2.25575574 2.25575574 0.00000000 1 Ni Ni2 1 2.25575574 0.00000000 1.60730655 1 Ni Ni3 1 0.00000000 2.25575574 1.60730655 1 [/CIF]
BrHgNi2
P4/mmm
123
tetragonal
4/mmm
10,097.857464
false
[CIF] data_Si2NiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16652484 _cell_length_b 3.16652484 _cell_length_c 7.19297067 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2NiBi _chemical_formula_sum 'Si2 Ni1 Bi1' _cell_volume 72.12305060 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58326242 1.58326242 3.92592476 1 Ni Ni1 1 0.00000000 0.00000000 5.91092478 1 Si Si2 1 1.58326242 1.58326242 7.01962727 1 Si Si3 1 0.00000000 0.00000000 1.12594987 1 [/CIF]
BiNiSi2
P4mm
99
tetragonal
4mm
7,456.103665
false
[CIF] data_TlCu4Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16159819 _cell_length_b 5.16159819 _cell_length_c 5.16159819 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCu4Cl _chemical_formula_sum 'Tl1 Cu4 Cl1' _cell_volume 97.23835020 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 2.73685422 4.56274794 2.73685422 1 Cu Cu2 1 4.56274794 2.73685422 2.73685422 1 Cu Cu3 1 4.56274794 4.56274794 4.56274794 1 Cu Cu4 1 2.73685422 2.73685422 4.56274794 1 Tl Tl5 1 1.82490054 1.82490054 1.82490054 1 [/CIF]
ClCu4Tl
F-43m
216
cubic
-43m
8,436.383445
false
[CIF] data_Al4IrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96863781 _cell_length_b 4.96863781 _cell_length_c 4.96863781 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al4IrRh _chemical_formula_sum 'Al4 Ir1 Rh1' _cell_volume 86.73552715 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.39174694 4.39174694 2.63496804 1 Al Al1 1 4.39174694 2.63496804 4.39174694 1 Al Al2 1 2.63496804 4.39174694 4.39174694 1 Al Al3 1 2.63496804 2.63496804 2.63496804 1 Ir Ir4 1 5.27003624 5.27003624 5.27003624 1 Rh Rh5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al4IrRh
F-43m
216
cubic
-43m
7,716.307934
false
[CIF] data_SrCa2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85638151 _cell_length_b 3.85638151 _cell_length_c 10.33257901 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCa2Br _chemical_formula_sum 'Sr1 Ca2 Br1' _cell_volume 153.66279157 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.71445879 1 Ca Ca1 1 1.92819075 1.92819075 10.09594528 1 Ca Ca2 1 0.00000000 0.00000000 2.50204207 1 Sr Sr3 1 1.92819075 1.92819075 5.51900149 1 [/CIF]
BrCa2Sr
P4mm
99
tetragonal
4mm
2,676.525083
false
[CIF] data_LiInP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30203979 _cell_length_b 4.30203979 _cell_length_c 4.30203979 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiInP _chemical_formula_sum 'Li1 In1 P1' _cell_volume 56.29998402 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.56300226 4.56300226 4.56300226 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 1.52100075 1.52100075 1.52100076 1 [/CIF]
InLiP
F-43m
216
cubic
-43m
4,504.774246
false
[CIF] data_MgRuBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32156527 _cell_length_b 3.32156527 _cell_length_c 8.76783837 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.51525870 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgRuBr2 _chemical_formula_sum 'Mg1 Ru1 Br2' _cell_volume 96.69994443 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.96120576 1 Br Br1 1 2.31743972 0.00000000 5.65871501 1 Mg Mg2 1 0.00000000 0.00000000 4.13780736 1 Ru Ru3 1 2.31743972 0.00000000 2.39402942 1 [/CIF]
Br2MgRu
Cmm2
35
orthorhombic
mm2
4,897.184951
false
[CIF] data_Ba2HfCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41268011 _cell_length_b 5.41268011 _cell_length_c 5.41268011 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2HfCo _chemical_formula_sum 'Ba2 Hf1 Co1' _cell_volume 112.13006789 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.82734281 3.82734281 3.82734281 1 Ba Ba1 1 5.74101422 5.74101422 5.74101422 1 Co Co2 1 0.00000000 -0.00000000 0.00000000 1 Hf Hf3 1 1.91367141 1.91367141 1.91367141 1 [/CIF]
Ba2CoHf
F-43m
216
cubic
-43m
7,583.373518
false
[CIF] data_TcBi2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12177816 _cell_length_b 5.12177816 _cell_length_c 6.92828775 _cell_angle_alpha 108.94266132 _cell_angle_beta 108.94266132 _cell_angle_gamma 38.95937497 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcBi2Te _chemical_formula_sum 'Tc1 Bi2 Te1' _cell_volume 107.28872319 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.39830158 -0.00000000 0.14568506 1 Bi Bi1 1 -0.08668660 -0.00000000 4.77494691 1 Tc Tc2 1 4.23980903 -0.00000000 2.51535702 1 Te Te3 1 7.01316785 -0.00000000 2.32092654 1 [/CIF]
Bi2TcTe
Cm
8
monoclinic
m
9,974.604961
false
[CIF] data_RePd2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98984124 _cell_length_b 4.98984124 _cell_length_c 2.74889318 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RePd2Br _chemical_formula_sum 'Re1 Pd2 Br1' _cell_volume 68.44335973 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 0.00000000 2.49492062 1.37444659 1 Pd Pd2 1 2.49492062 0.00000000 1.37444659 1 Re Re3 1 2.49492062 2.49492062 0.00000000 1 [/CIF]
BrPd2Re
P4/mmm
123
tetragonal
4/mmm
11,620.073148
false
[CIF] data_SrTa2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96079572 _cell_length_b 2.96079572 _cell_length_c 10.35733130 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.10131449 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTa2In _chemical_formula_sum 'Sr1 Ta2 In1' _cell_volume 90.73453529 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.17866565 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 2.05485768 0.00000000 2.90667535 1 Ta Ta3 1 2.05485768 0.00000000 7.45065595 1 [/CIF]
InSrTa2
Cmmm
65
orthorhombic
mmm
10,327.91155
false
[CIF] data_Hf2CrIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56460994 _cell_length_b 4.56460994 _cell_length_c 3.25271618 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2CrIr _chemical_formula_sum 'Hf2 Cr1 Ir1' _cell_volume 67.77250110 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 2.28230497 1.62635809 1 Hf Hf2 1 2.28230497 0.00000000 1.62635809 1 Ir Ir3 1 2.28230497 2.28230497 0.00000000 1 [/CIF]
CrHf2Ir
P4/mmm
123
tetragonal
4/mmm
14,730.231479
false
[CIF] data_BaNaSr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29514768 _cell_length_b 4.29514768 _cell_length_c 11.47139836 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNaSr2 _chemical_formula_sum 'Ba1 Na1 Sr2' _cell_volume 211.62772487 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.14757384 2.14757384 6.00469647 1 Na Na1 1 0.00000000 0.00000000 8.70755902 1 Sr Sr2 1 2.14757384 2.14757384 11.20406327 1 Sr Sr3 1 0.00000000 0.00000000 2.76217713 1 [/CIF]
BaNaSr2
P4mm
99
tetragonal
4mm
2,632.949557
false
[CIF] data_LaSm2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48164592 _cell_length_b 5.48164592 _cell_length_c 5.48164592 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSm2Al _chemical_formula_sum 'La1 Sm2 Al1' _cell_volume 116.47103632 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 3.87610900 3.87610900 3.87610900 1 Sm Sm2 1 5.81416350 5.81416350 5.81416350 1 Sm Sm3 1 1.93805450 1.93805450 1.93805450 1 [/CIF]
AlLaSm2
Fm-3m
225
cubic
m-3m
6,652.4622
false
[CIF] data_Fe3P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92332114 _cell_length_b 3.92332114 _cell_length_c 3.92332114 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3P _chemical_formula_sum 'Fe3 P1' _cell_volume 42.70183894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.16131048 4.16131048 4.16131048 1 Fe Fe1 1 2.77420698 2.77420698 2.77420698 1 Fe Fe2 1 1.38710349 1.38710349 1.38710349 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe3P
Fm-3m
225
cubic
m-3m
7,719.376443
false
[CIF] data_HfBAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89413030 _cell_length_b 3.89413030 _cell_length_c 3.49319695 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBAu _chemical_formula_sum 'Hf1 B1 Au1' _cell_volume 45.87485043 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94706517 1.12413858 0.49617296 1 B B1 1 0.00000000 0.00000000 0.78464110 1 Hf Hf2 1 0.00000002 2.24827716 2.21238293 1 [/CIF]
AuBHf
P3m1
156
trigonal
3m
13,981.787012
false
[CIF] data_CoAsSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59582221 _cell_length_b 4.59582221 _cell_length_c 4.59582221 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoAsSe2 _chemical_formula_sum 'Co1 As1 Se2' _cell_volume 68.63958689 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.87460557 4.87460558 4.87460558 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 1.62486852 1.62486853 1.62486852 1 Se Se3 1 3.24973705 3.24973705 3.24973705 1 [/CIF]
AsCoSe2
F-43m
216
cubic
-43m
7,058.659116
false
[CIF] data_BeTlBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75709020 _cell_length_b 4.75709020 _cell_length_c 4.75709020 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTlBi _chemical_formula_sum 'Be1 Tl1 Bi1' _cell_volume 76.12181963 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 1.68188537 1.68188537 1.68188537 1 Tl Tl2 1 5.04565611 5.04565611 5.04565611 1 [/CIF]
BeBiTl
F-43m
216
cubic
-43m
9,213.805664
false
[CIF] data_AlCdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40600351 _cell_length_b 4.40600351 _cell_length_c 4.40600351 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCdPt _chemical_formula_sum 'Al1 Cd1 Pt1' _cell_volume 60.48107734 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 1.55775748 1.55775748 1.55775748 1 Pt Pt2 1 3.11551496 3.11551496 3.11551496 1 [/CIF]
AlCdPt
F-43m
216
cubic
-43m
9,183.225293
false
[CIF] data_La2VZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63966831 _cell_length_b 5.63966831 _cell_length_c 5.63966831 _cell_angle_alpha 132.96856772 _cell_angle_beta 132.96856772 _cell_angle_gamma 68.70351461 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2VZn _chemical_formula_sum 'La2 V1 Zn1' _cell_volume 94.30432853 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.65604758 1 La La1 1 -0.00000000 2.25023105 2.32802379 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 2.25023105 -0.00000000 2.32802379 1 [/CIF]
La2VZn
I-4m2
119
tetragonal
-42m
6,940.002906
false
[CIF] data_ZrMnBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80617936 _cell_length_b 2.80617936 _cell_length_c 6.36520648 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMnBe _chemical_formula_sum 'Zr1 Mn1 Be1' _cell_volume 43.40842005 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.20887565 1 Mn Mn1 1 -0.00000000 1.62014841 1.87596467 1 Zr Zr2 1 1.40308968 0.81007420 4.28036616 1 [/CIF]
BeMnZr
P3m1
156
trigonal
3m
5,936.01116
false
[CIF] data_ZrFe5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83363118 _cell_length_b 4.83363118 _cell_length_c 3.97599497 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrFe5 _chemical_formula_sum 'Zr1 Fe5' _cell_volume 80.44952371 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.20840780 2.09302370 1.98799749 1 Fe Fe1 1 2.41681559 1.39534913 0.00000000 1 Fe Fe2 1 -1.20840780 2.09302370 1.98799749 1 Fe Fe3 1 2.41681559 0.00000000 1.98799749 1 Fe Fe4 1 0.00000000 2.79069826 0.00000000 1 Zr Zr5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe5Zr
P6/mmm
191
hexagonal
6/mmm
7,646.347773
false
[CIF] data_ReGeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37292399 _cell_length_b 4.37292399 _cell_length_c 4.37292399 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReGeBr _chemical_formula_sum 'Re1 Ge1 Br1' _cell_volume 59.12903469 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09212421 3.09212421 3.09212421 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 4.63818632 4.63818632 4.63818632 1 [/CIF]
BrGeRe
F-43m
216
cubic
-43m
9,513.249663
false
[CIF] data_CuReBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34808043 _cell_length_b 3.34808043 _cell_length_c 8.29977323 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuReBi2 _chemical_formula_sum 'Cu1 Re1 Bi2' _cell_volume 93.03749110 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.55585128 1 Bi Bi1 1 1.67404021 1.67404021 2.86847309 1 Cu Cu2 1 0.00000000 0.00000000 4.52606595 1 Re Re3 1 1.67404021 1.67404021 5.79904268 1 [/CIF]
Bi2CuRe
P4mm
99
tetragonal
4mm
11,917.546096
false
[CIF] data_PrErBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51506944 _cell_length_b 5.51506944 _cell_length_c 5.51506944 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrErBi2 _chemical_formula_sum 'Pr1 Er1 Bi2' _cell_volume 118.61454773 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.84961450 5.84961450 5.84961450 1 Bi Bi1 1 1.94987150 1.94987150 1.94987150 1 Er Er2 1 3.89974300 3.89974300 3.89974300 1 Pr Pr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2ErPr
Fm-3m
225
cubic
m-3m
10,165.388826
false
[CIF] data_TlIn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39764903 _cell_length_b 4.85649708 _cell_length_c 6.84690400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlIn3 _chemical_formula_sum 'Tl1 In3' _cell_volume 112.97852118 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69882451 2.42824854 1.68873834 1 In In1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 1.69882451 2.42824854 5.15816566 1 Tl Tl3 1 0.00000000 0.00000000 3.42345200 1 [/CIF]
In3Tl
Pmmm
47
orthorhombic
mmm
8,066.717181
false
[CIF] data_O2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11371078 _cell_length_b 3.11371078 _cell_length_c 3.11371078 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural O2 _chemical_formula_sum O2 _cell_volume 21.34616266 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 1.10086300 1.10086300 1.10086300 1 O O1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
O2
Fd-3m
227
cubic
m-3m
2,489.218241
false
[CIF] data_LaHfCrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81601116 _cell_length_b 4.81601116 _cell_length_c 4.81601116 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHfCrPt _chemical_formula_sum 'La1 Hf1 Cr1 Pt1' _cell_volume 78.98551538 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.40543415 3.40543415 3.40543415 1 La La2 1 1.70271708 1.70271708 1.70271708 1 Pt Pt3 1 5.10815123 5.10815123 5.10815123 1 [/CIF]
CrHfLaPt
F-43m
216
cubic
-43m
11,867.159841
false
[CIF] data_VAsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54250129 _cell_length_b 4.54250129 _cell_length_c 4.54250129 _cell_angle_alpha 143.21462126 _cell_angle_beta 128.82909953 _cell_angle_gamma 64.66666749 _symmetry_Int_Tables_number 1 _chemical_formula_structural VAsRh _chemical_formula_sum 'V1 As1 Rh1' _cell_volume 43.16722553 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 -0.00000000 0.00000000 0.00288924 1 Rh Rh1 1 -0.00000000 -0.00000000 5.15304733 1 V V2 1 0.00000000 -0.00000000 2.52044375 1 [/CIF]
AsRhV
Imm2
44
orthorhombic
mm2
8,800.176357
false
[CIF] data_LiSbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08918789 _cell_length_b 3.08918789 _cell_length_c 6.91457747 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSbW _chemical_formula_sum 'Li1 Sb1 W1' _cell_volume 57.14588004 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 6.86318259 1 Sb Sb1 1 0.00000000 1.78354346 2.39106213 1 W W2 1 1.54459394 0.89177173 4.57491022 1 [/CIF]
LiSbW
P3m1
156
trigonal
3m
9,081.78404
false
[CIF] data_LaScZnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00446727 _cell_length_b 5.00446727 _cell_length_c 5.00446727 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaScZnPt _chemical_formula_sum 'La1 Sc1 Zn1 Pt1' _cell_volume 88.62547194 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.53869274 3.53869274 3.53869274 1 Pt Pt1 1 5.30803911 5.30803911 5.30803911 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 1.76934637 1.76934637 1.76934637 1 [/CIF]
LaPtScZn
F-43m
216
cubic
-43m
8,325.142185
false
[CIF] data_VTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03660735 _cell_length_b 5.03660735 _cell_length_c 6.09703810 _cell_angle_alpha 108.48021896 _cell_angle_beta 108.48021896 _cell_angle_gamma 34.86203788 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTc _chemical_formula_sum 'V3 Tc3' _cell_volume 83.38568703 _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 Tc Tc0 1 1.79988958 0.00000000 3.90839307 1 Tc Tc1 1 -1.01282164 0.00000000 2.87535402 1 Tc Tc2 1 5.78510264 0.00000000 1.84231497 1 V V3 1 2.88323441 0.00000000 0.95689714 1 V V4 1 0.00000000 0.00000000 0.00000000 1 V V5 1 4.70175782 0.00000000 4.79381089 1 [/CIF]
Tc3V3
C2/m
12
monoclinic
2/m
8,952.182398
false
[CIF] data_Si(AsP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09009566 _cell_length_b 5.09009566 _cell_length_c 5.09009566 _cell_angle_alpha 121.24614717 _cell_angle_beta 121.24614717 _cell_angle_gamma 87.85482974 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si(AsP)2 _chemical_formula_sum 'Si1 As2 P2' _cell_volume 91.42694033 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.49696102 1.83299244 1 As As1 1 2.49696102 -0.00000000 1.83299244 1 P P2 1 0.00000000 -0.00000000 4.82597076 1 P P3 1 0.00000000 -0.00000000 2.50599900 1 Si Si4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2P2Si
I4/mmm
139
tetragonal
4/mmm
4,356.744737
false
[CIF] data_CoAg3W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69094936 _cell_length_b 4.69094936 _cell_length_c 4.69094936 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoAg3W _chemical_formula_sum 'Co1 Ag3 W1' _cell_volume 103.22436833 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ag Ag1 1 0.00000000 2.34547468 0.00000000 1 Ag Ag2 1 0.00000000 0.00000000 2.34547468 1 Ag Ag3 1 2.34547468 0.00000000 0.00000000 1 W W4 1 2.34547468 2.34547468 2.34547468 1 [/CIF]
Ag3CoW
Pm-3m
221
cubic
m-3m
9,111.147593
false
[CIF] data_ScNbCuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53677717 _cell_length_b 4.53677717 _cell_length_c 4.53677717 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNbCuW _chemical_formula_sum 'Sc1 Nb1 Cu1 W1' _cell_volume 66.02787919 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.20798590 3.20798590 3.20798590 1 Nb Nb1 1 1.60399295 1.60399295 1.60399295 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 4.81197885 4.81197885 4.81197885 1 [/CIF]
CuNbScW
F-43m
216
cubic
-43m
9,688.632243
false
[CIF] data_HfRu2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51919687 _cell_length_b 4.51919687 _cell_length_c 4.51919687 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfRu2Cl _chemical_formula_sum 'Hf1 Ru2 Cl1' _cell_volume 65.26326306 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 1.59777738 1.59777738 1.59777738 1 Ru Ru2 1 3.19555475 3.19555475 3.19555475 1 Ru Ru3 1 4.79333213 4.79333213 4.79333213 1 [/CIF]
ClHfRu2
F-43m
216
cubic
-43m
10,586.692176
false
[CIF] data_YZrFePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89517152 _cell_length_b 4.89517152 _cell_length_c 4.89517152 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZrFePb _chemical_formula_sum 'Y1 Zr1 Fe1 Pb1' _cell_volume 82.94471969 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 5.19211347 5.19211347 5.19211347 1 Y Y2 1 1.73070449 1.73070449 1.73070449 1 Zr Zr3 1 3.46140898 3.46140898 3.46140898 1 [/CIF]
FePbYZr
F-43m
216
cubic
-43m
8,872.284511
false
[CIF] data_Nb2PtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98557248 _cell_length_b 4.98557248 _cell_length_c 4.98557248 _cell_angle_alpha 132.94740891 _cell_angle_beta 132.94740891 _cell_angle_gamma 68.73675102 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2PtRh _chemical_formula_sum 'Nb2 Pt1 Rh1' _cell_volume 65.19261571 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 1.99009050 2.05760860 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.99009050 0.00000000 2.05760860 1 Rh Rh3 1 0.00000000 0.00000000 4.11521720 1 [/CIF]
Nb2PtRh
I-4m2
119
tetragonal
-42m
12,323.060587
false
[CIF] data_LaZnSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48990730 _cell_length_b 4.61850931 _cell_length_c 6.65847512 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZnSn2 _chemical_formula_sum 'La1 Zn1 Sn2' _cell_volume 107.32242976 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74495365 0.00000000 3.32923756 1 Sn Sn1 1 0.00000000 2.30925466 5.07587936 1 Sn Sn2 1 0.00000000 2.30925466 1.58259575 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaSn2Zn
Pmmm
47
orthorhombic
mmm
6,834.261849
false
[CIF] data_Mg2AlHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77634336 _cell_length_b 3.77634336 _cell_length_c 5.91142005 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2AlHg _chemical_formula_sum 'Mg2 Al1 Hg1' _cell_volume 84.30139682 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.92447562 1 Hg Hg1 1 1.88817168 1.88817168 4.45350609 1 Mg Mg2 1 0.00000000 0.00000000 5.84671382 1 Mg Mg3 1 1.88817168 1.88817168 1.55385453 1 [/CIF]
AlHgMg2
P4mm
99
tetragonal
4mm
5,440.126162
false
[CIF] data_ScV2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32167635 _cell_length_b 3.32167635 _cell_length_c 5.81367767 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScV2As _chemical_formula_sum 'Sc1 V2 As1' _cell_volume 64.14540892 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.90683883 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.66083818 1.66083818 1.77863102 1 V V3 1 1.66083818 1.66083818 4.03504665 1 [/CIF]
AsScV2
P4/mmm
123
tetragonal
4/mmm
5,740.73811
false
[CIF] data_NaAlRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31756540 _cell_length_b 4.31756540 _cell_length_c 4.31756540 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAlRu _chemical_formula_sum 'Na1 Al1 Ru1' _cell_volume 56.91172840 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52648988 1.52648988 1.52648988 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 3.05297977 3.05297977 3.05297977 1 [/CIF]
AlNaRu
F-43m
216
cubic
-43m
4,407.000094
false
[CIF] data_HfP2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29865751 _cell_length_b 3.29865751 _cell_length_c 7.40116211 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfP2Se _chemical_formula_sum 'Hf1 P2 Se1' _cell_volume 80.53309121 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64932875 1.64932875 5.73793218 1 P P1 1 0.00000000 0.00000000 0.17661238 1 P P2 1 1.64932875 1.64932875 0.93896146 1 Se Se3 1 0.00000000 0.00000000 4.24823715 1 [/CIF]
HfP2Se
P4mm
99
tetragonal
4mm
6,585.765658
false
[CIF] data_LiPdPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77162073 _cell_length_b 4.77162073 _cell_length_c 2.75920623 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.03310260 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiPdPt2 _chemical_formula_sum 'Li1 Pd1 Pt2' _cell_volume 59.02152200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 2.73575998 -0.00000000 0.00000000 1 Pt Pt2 1 1.36787999 -1.95473667 1.37960311 1 Pt Pt3 1 1.36787999 1.95473666 1.37960311 1 [/CIF]
LiPdPt2
Cmmm
65
orthorhombic
mmm
14,166.520064
false
[CIF] data_ThMg2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14719997 _cell_length_b 5.14719997 _cell_length_c 5.14719997 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThMg2As _chemical_formula_sum 'Th1 Mg2 As1' _cell_volume 96.42688207 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 -0.00000000 0.00000000 0.00000000 1 Mg Mg1 1 5.45943000 5.45943000 5.45943000 1 Mg Mg2 1 1.81981000 1.81981000 1.81981000 1 Th Th3 1 3.63962000 3.63962000 3.63962000 1 [/CIF]
AsMg2Th
Fm-3m
225
cubic
m-3m
6,123.160873
false
[CIF] data_Zn2CuNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74758177 _cell_length_b 3.74758177 _cell_length_c 3.58869287 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CuNi _chemical_formula_sum 'Zn2 Cu1 Ni1' _cell_volume 50.40092733 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87379089 1.87379089 0.00000000 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 0.00000000 1.87379089 1.79434644 1 Zn Zn3 1 1.87379089 0.00000000 1.79434644 1 [/CIF]
CuNiZn2
P4/mmm
123
tetragonal
4/mmm
8,335.4694
false
[CIF] data_SrTlCoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89570072 _cell_length_b 4.89570072 _cell_length_c 4.89570072 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTlCoRu _chemical_formula_sum 'Sr1 Tl1 Co1 Ru1' _cell_volume 82.97162313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 5.19267477 5.19267477 5.19267477 1 Sr Sr2 1 1.73089159 1.73089159 1.73089159 1 Tl Tl3 1 3.46178318 3.46178318 3.46178318 1 [/CIF]
CoRuSrTl
F-43m
216
cubic
-43m
9,046.158373
false
[CIF] data_NaRePdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80229298 _cell_length_b 4.80229298 _cell_length_c 4.80229298 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaRePdPb _chemical_formula_sum 'Na1 Re1 Pd1 Pb1' _cell_volume 78.31247650 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.09360090 5.09360090 5.09360090 1 Pd Pd2 1 3.39573393 3.39573393 3.39573393 1 Re Re3 1 1.69786697 1.69786697 1.69786697 1 [/CIF]
NaPbPdRe
F-43m
216
cubic
-43m
11,085.815555
false
[CIF] data_MgReBiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71317833 _cell_length_b 4.71317833 _cell_length_c 4.71317833 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgReBiW _chemical_formula_sum 'Mg1 Re1 Bi1 W1' _cell_volume 74.03321670 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66636018 1.66636018 1.66636018 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 3.33272036 3.33272036 3.33272036 1 W W3 1 4.99908054 4.99908054 4.99908054 1 [/CIF]
BiMgReW
F-43m
216
cubic
-43m
13,532.533976
false
[CIF] data_AlOsPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65078316 _cell_length_b 4.65078316 _cell_length_c 4.65078316 _cell_angle_alpha 129.11984747 _cell_angle_beta 129.11984747 _cell_angle_gamma 74.81781044 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlOsPd2 _chemical_formula_sum 'Al1 Os1 Pd2' _cell_volume 58.97873465 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 1.99782240 -0.00000000 1.84710553 1 Pd Pd2 1 0.00000000 -0.00000000 3.69421105 1 Pd Pd3 1 0.00000000 1.99782240 1.84710553 1 [/CIF]
AlOsPd2
I-4m2
119
tetragonal
-42m
12,108.048516
false
[CIF] data_Cr2CoP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89596249 _cell_length_b 2.89596249 _cell_length_c 5.40194266 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2CoP _chemical_formula_sum 'Cr2 Co1 P1' _cell_volume 45.30392552 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.44798125 1.44798125 3.96424928 1 Cr Cr1 1 0.00000000 0.00000000 0.05231020 1 Cr Cr2 1 1.44798125 1.44798125 1.37208933 1 P P3 1 0.00000000 0.00000000 2.71426519 1 [/CIF]
CoCr2P
P4mm
99
tetragonal
4mm
7,107.046938
false
[CIF] data_La2ReTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05144253 _cell_length_b 5.05144253 _cell_length_c 3.57003837 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2ReTc _chemical_formula_sum 'La2 Re1 Tc1' _cell_volume 91.09692487 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.52572127 1.78501918 1 La La1 1 2.52572127 0.00000000 1.78501918 1 Re Re2 1 2.52572127 2.52572127 0.00000000 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2ReTc
P4/mmm
123
tetragonal
4/mmm
10,261.360108
false
[CIF] data_VSn2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.15331492 _cell_length_b 7.15331492 _cell_length_c 7.15331492 _cell_angle_alpha 152.95336804 _cell_angle_beta 142.89294915 _cell_angle_gamma 46.51643902 _symmetry_Int_Tables_number 1 _chemical_formula_structural VSn2Te _chemical_formula_sum 'V1 Sn2 Te1' _cell_volume 100.08752380 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67273861 0.00000000 0.95447857 1 Sn Sn1 1 0.00000000 0.00000000 9.70417582 1 Te Te2 1 1.67273861 0.00000000 5.58484436 1 V V3 1 -0.00000000 -0.00000000 3.47249441 1 [/CIF]
Sn2TeV
Imm2
44
orthorhombic
mm2
6,901.163049
false
[CIF] data_BeHg2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96543947 _cell_length_b 2.96543947 _cell_length_c 8.31008993 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeHg2P _chemical_formula_sum 'Be1 Hg2 P1' _cell_volume 73.07752852 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.48271974 1.48271974 1.73564239 1 Hg Hg2 1 1.48271974 1.48271974 6.57444754 1 P P3 1 0.00000000 0.00000000 4.15504497 1 [/CIF]
BeHg2P
P4/mmm
123
tetragonal
4/mmm
10,024.604002
false
[CIF] data_Be2AlGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69701974 _cell_length_b 2.69701974 _cell_length_c 7.20554618 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2AlGe _chemical_formula_sum 'Be2 Al1 Ge1' _cell_volume 52.41253389 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Be Be1 1 1.34850987 1.34850987 1.73611294 1 Be Be2 1 1.34850987 1.34850987 5.46943324 1 Ge Ge3 1 0.00000000 0.00000000 3.60277309 1 [/CIF]
AlBe2Ge
P4/mmm
123
tetragonal
4/mmm
3,727.269086
false
[CIF] data_Sc2TiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91706491 _cell_length_b 4.91706491 _cell_length_c 4.91706491 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2TiSb _chemical_formula_sum 'Sc2 Ti1 Sb1' _cell_volume 84.06260148 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 3.47688994 3.47688994 3.47688994 1 Sc Sc1 1 5.21533491 5.21533491 5.21533491 1 Sc Sc2 1 1.73844497 1.73844497 1.73844497 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SbSc2Ti
Fm-3m
225
cubic
m-3m
5,126.826305
false
[CIF] data_NaGaRePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75681393 _cell_length_b 4.75681393 _cell_length_c 4.75681393 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaGaRePb _chemical_formula_sum 'Na1 Ga1 Re1 Pb1' _cell_volume 76.10855814 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68178770 1.68178770 1.68178770 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 5.04536309 5.04536308 5.04536308 1 Re Re3 1 3.36357539 3.36357539 3.36357539 1 [/CIF]
GaNaPbRe
F-43m
216
cubic
-43m
10,606.177382
false
[CIF] data_Mn4OsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66609044 _cell_length_b 4.66609044 _cell_length_c 4.66609044 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn4OsRh _chemical_formula_sum 'Mn4 Os1 Rh1' _cell_volume 71.83638314 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.13120386 4.13120386 2.46764452 1 Mn Mn1 1 4.13120386 2.46764452 4.13120386 1 Mn Mn2 1 2.46764452 4.13120386 4.13120386 1 Mn Mn3 1 2.46764452 2.46764452 2.46764452 1 Os Os4 1 4.94913628 4.94913628 4.94913628 1 Rh Rh5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mn4OsRh
F-43m
216
cubic
-43m
11,855.691952
false
[CIF] data_Ba2ZnSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78800008 _cell_length_b 4.78800008 _cell_length_c 6.80993079 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2ZnSe _chemical_formula_sum 'Ba2 Zn1 Se1' _cell_volume 156.11728690 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.39400004 2.39400004 0.00000000 1 Ba Ba1 1 0.00000000 0.00000000 3.40496540 1 Se Se2 1 2.39400004 2.39400004 3.40496540 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2SeZn
P4/mmm
123
tetragonal
4/mmm
4,456.711993
false
[CIF] data_HfCrBiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73362270 _cell_length_b 4.73362270 _cell_length_c 4.73362270 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCrBiW _chemical_formula_sum 'Hf1 Cr1 Bi1 W1' _cell_volume 75.00080394 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67358836 1.67358836 1.67358835 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 5.02076507 5.02076507 5.02076507 1 W W3 1 3.34717671 3.34717671 3.34717671 1 [/CIF]
BiCrHfW
F-43m
216
cubic
-43m
13,800.182656
false
[CIF] data_CoTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74486753 _cell_length_b 4.74486753 _cell_length_c 4.74486753 _cell_angle_alpha 103.93544544 _cell_angle_beta 103.93544544 _cell_angle_gamma 121.22116601 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoTc2 _chemical_formula_sum 'Co2 Tc4' _cell_volume 79.59689279 _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 Co Co0 1 0.00000000 0.00000000 1.16425485 1 Co Co1 1 0.00000000 -0.00000000 3.49276454 1 Tc Tc2 1 2.05140496 0.87193307 0.00000000 1 Tc Tc3 1 2.05140496 -0.87193307 2.32850970 1 Tc Tc4 1 0.87193307 3.79527110 -0.00000000 1 Tc Tc5 1 0.87193307 2.05140496 2.32850969 1 [/CIF]
Co2Tc4
I4/mcm
140
tetragonal
4/mmm
10,712.380238
false
[CIF] data_V2FePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25259484 _cell_length_b 4.25259484 _cell_length_c 4.25259484 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2FePt _chemical_formula_sum 'V2 Fe1 Pt1' _cell_volume 54.38097956 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 3.00703865 3.00703865 3.00703865 1 V V2 1 1.50351933 1.50351933 1.50351933 1 V V3 1 4.51055798 4.51055798 4.51055798 1 [/CIF]
FePtV2
Fm-3m
225
cubic
m-3m
10,773.217288
false