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_NbB3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75906103 _cell_length_b 2.75906103 _cell_length_c 4.79734292 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbB3 _chemical_formula_sum 'Nb1 B3' _cell_volume 36.51937848 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.37953052 1.37953052 0.81146230 1 B B1 1 0.00000000 0.00000000 0.00000000 1 B B2 1 1.37953052 1.37953052 3.98588062 1 Nb Nb3 1 0.00000000 0.00000000 2.39867146 1 [/CIF]
B3Nb
P4/mmm
123
tetragonal
4/mmm
5,699.209116
false
[CIF] data_ScAsRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21812341 _cell_length_b 3.79626583 _cell_length_c 5.27176268 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAsRh2 _chemical_formula_sum 'Sc1 As1 Rh2' _cell_volume 64.40434411 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60906171 1.89813292 4.18342114 1 Rh Rh1 1 0.00000000 0.00000000 5.04952804 1 Rh Rh2 1 1.60906171 1.89813292 1.45699617 1 Sc Sc3 1 0.00000000 0.00000000 2.48946135 1 [/CIF]
AsRh2Sc
Pmm2
25
orthorhombic
mm2
8,397.236322
false
[CIF] data_ScNi4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78854668 _cell_length_b 4.78854668 _cell_length_c 4.78854668 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNi4W _chemical_formula_sum 'Sc1 Ni4 W1' _cell_volume 77.64190428 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 4.22921227 2.54281539 4.22921227 1 Ni Ni1 1 2.54281539 4.22921227 4.22921227 1 Ni Ni2 1 2.54281539 2.54281539 2.54281539 1 Ni Ni3 1 4.22921227 4.22921227 2.54281539 1 Sc Sc4 1 0.00000000 0.00000000 0.00000000 1 W W5 1 5.07902075 5.07902075 5.07902075 1 [/CIF]
Ni4ScW
F-43m
216
cubic
-43m
9,914.430769
false
[CIF] data_BaOsRuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71999040 _cell_length_b 4.71999040 _cell_length_c 4.71999040 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaOsRuW _chemical_formula_sum 'Ba1 Os1 Ru1 W1' _cell_volume 74.35468679 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.33753722 3.33753722 3.33753722 1 Os Os1 1 1.66876861 1.66876861 1.66876861 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 5.00630583 5.00630583 5.00630583 1 [/CIF]
BaOsRuW
F-43m
216
cubic
-43m
13,678.026557
false
[CIF] data_KPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85386330 _cell_length_b 4.85386330 _cell_length_c 2.90189086 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KPt2 _chemical_formula_sum 'K1 Pt2' _cell_volume 59.20887211 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.42693165 1.40118964 1.45094543 1 Pt Pt2 1 0.00000000 2.80237928 1.45094543 1 [/CIF]
KPt2
P6/mmm
191
hexagonal
6/mmm
12,038.963688
false
[CIF] data_AlNiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30984850 _cell_length_b 4.30984850 _cell_length_c 4.30984850 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlNiSn _chemical_formula_sum 'Al1 Ni1 Sn1' _cell_volume 56.60711407 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 4.57128465 4.57128465 4.57128465 1 Sn Sn2 1 1.52376155 1.52376155 1.52376155 1 [/CIF]
AlNiSn
F-43m
216
cubic
-43m
5,995.521601
false
[CIF] data_NiPd2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03839230 _cell_length_b 3.03839230 _cell_length_c 6.60977734 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiPd2Cl _chemical_formula_sum 'Ni1 Pd2 Cl1' _cell_volume 61.02032599 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 0.00000000 0.00000000 3.30488867 1 Pd Pd2 1 1.51919615 1.51919615 4.74497976 1 Pd Pd3 1 1.51919615 1.51919615 1.86479758 1 [/CIF]
ClNiPd2
P4/mmm
123
tetragonal
4/mmm
8,353.985362
false
[CIF] data_BaPr2PdO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86404845 _cell_length_b 6.86404845 _cell_length_c 5.99585290 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaPr2PdO5 _chemical_formula_sum 'Ba2 Pr4 Pd2 O10' _cell_volume 282.49557546 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 3.43202423 3.43202423 0.00000000 1 O O1 1 0.00000000 0.00000000 0.00000000 1 O O2 1 4.39588928 0.96386506 4.49755593 1 O O3 1 2.46815917 5.90018339 4.49755593 1 O O4 1 0.96386506 2.46815917 4.49755593 1 O O5 1 5.90018339 4.39588928 4.49755593 1 O O6 1 4.39588928 0.96386506 1.49829697 1 O O7 1 5.90018339 4.39588928 1.49829697 1 O O8 1 2.46815917 5.90018339 1.49829697 1 O O9 1 0.96386506 2.46815917 1.49829697 1 Pd Pd10 1 3.43202423 0.00000000 2.99792645 1 Pd Pd11 1 0.00000000 3.43202423 2.99792645 1 Ba Ba12 1 3.43202423 3.43202423 2.99792645 1 Ba Ba13 1 0.00000000 0.00000000 2.99792645 1 Pr Pr14 1 1.19236518 4.62438941 0.00000000 1 Pr Pr15 1 2.23965904 1.19236518 0.00000000 1 Pr Pr16 1 4.62438941 5.67168327 0.00000000 1 Pr Pr17 1 5.67168327 2.23965904 0.00000000 1 [/CIF]
Ba2O10Pd2Pr4
P4/mbm
127
tetragonal
4/mmm
7,119.084065
false
[CIF] data_Tl2OsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66433284 _cell_length_b 5.66433284 _cell_length_c 3.17321095 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.77136237 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2OsPb _chemical_formula_sum 'Tl2 Os1 Pb1' _cell_volume 96.39608807 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Pb Pb1 1 3.29848916 0.00000000 0.00000000 1 Tl Tl2 1 1.64924458 -2.30242458 1.58660547 1 Tl Tl3 1 1.64924458 2.30242458 1.58660547 1 [/CIF]
OsPbTl2
Cmmm
65
orthorhombic
mmm
13,887.710347
false
[CIF] data_ScTa2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93480934 _cell_length_b 2.93480934 _cell_length_c 8.95154535 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 100.71726329 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTa2Au _chemical_formula_sum 'Sc1 Ta2 Au1' _cell_volume 75.75572737 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87235009 -0.00000000 4.51445105 1 Sc Sc1 1 0.00000000 0.00000000 2.30360402 1 Ta Ta2 1 1.87235009 -0.00000000 8.87025404 1 Ta Ta3 1 0.00000000 0.00000000 6.69055418 1 [/CIF]
AuScTa2
Cmm2
35
orthorhombic
mm2
13,235.484803
false
[CIF] data_TlCr3Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21776036 _cell_length_b 5.21776036 _cell_length_c 5.21776036 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCr3Hg _chemical_formula_sum 'Tl1 Cr3 Hg1' _cell_volume 142.05364672 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 2.60888018 0.00000000 2.60888018 1 Cr Cr1 1 2.60888018 2.60888018 0.00000000 1 Cr Cr2 1 0.00000000 2.60888018 2.60888018 1 Tl Tl3 1 2.60888018 2.60888018 2.60888018 1 Hg Hg4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr3HgTl
Pm-3m
221
cubic
m-3m
6,557.372325
false
[CIF] data_RbLu2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57730988 _cell_length_b 5.57730988 _cell_length_c 5.57730988 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbLu2Te _chemical_formula_sum 'Rb1 Lu2 Te1' _cell_volume 122.67592076 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Lu Lu0 1 5.91563045 5.91563045 5.91563045 1 Lu Lu1 1 1.97187682 1.97187682 1.97187682 1 Rb Rb2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 3.94375364 3.94375364 3.94375364 1 [/CIF]
Lu2RbTe
Fm-3m
225
cubic
m-3m
7,620.776869
false
[CIF] data_BaIrPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30547286 _cell_length_b 5.30547286 _cell_length_c 5.30547286 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaIrPb2 _chemical_formula_sum 'Ba1 Ir1 Pb2' _cell_volume 105.59838926 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 3.75153584 3.75153584 3.75153584 1 Pb Pb2 1 5.62730375 5.62730375 5.62730375 1 Pb Pb3 1 1.87576792 1.87576792 1.87576792 1 [/CIF]
BaIrPb2
Fm-3m
225
cubic
m-3m
11,698.607677
false
[CIF] data_Ge2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41143158 _cell_length_b 5.41143158 _cell_length_c 10.34269229 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge2P _chemical_formula_sum 'Ge8 P4' _cell_volume 262.29413475 _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 Ge Ge0 1 0.00000000 0.00000000 5.17134614 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Ge Ge2 1 1.41994195 3.94409535 7.75701922 1 Ge Ge3 1 1.28577384 0.74234187 2.58567307 1 Ge Ge4 1 -1.41994195 3.94409535 7.75701922 1 Ge Ge5 1 -0.00000000 1.48468374 7.75701922 1 Ge Ge6 1 2.70571579 3.20175348 2.58567307 1 Ge Ge7 1 4.12565774 0.74234187 2.58567307 1 P P8 1 2.70571579 1.56214574 4.47439410 1 P P9 1 0.00000000 3.12429148 9.64574025 1 P P10 1 -0.00000000 3.12429148 5.86829819 1 P P11 1 2.70571579 1.56214574 0.69695204 1 [/CIF]
Ge8P4
P6_3/mmc
194
hexagonal
6/mmm
4,463.329044
false
[CIF] data_ScHgIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90748692 _cell_length_b 4.90748692 _cell_length_c 5.00688806 _cell_angle_alpha 102.12617598 _cell_angle_beta 102.12617598 _cell_angle_gamma 35.47021056 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScHgIr2 _chemical_formula_sum 'Sc1 Hg1 Ir2' _cell_volume 68.24891205 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 4.12213231 -0.00000000 2.44180025 1 Ir Ir1 1 6.65970718 -0.00000000 1.19393650 1 Ir Ir2 1 1.58455745 -0.00000000 3.68966400 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgIr2Sc
C2/m
12
monoclinic
2/m
15,327.808512
false
[CIF] data_CdFeSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47201221 _cell_length_b 4.47201221 _cell_length_c 4.47201221 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdFeSi2 _chemical_formula_sum 'Cd1 Fe1 Si2' _cell_volume 63.24030334 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.74328524 4.74328524 4.74328524 1 Fe Fe1 1 3.16219016 3.16219016 3.16219016 1 Si Si2 1 1.58109508 1.58109508 1.58109508 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdFeSi2
F-43m
216
cubic
-43m
5,892.91609
false
[CIF] data_SiBi2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33207810 _cell_length_b 5.33207810 _cell_length_c 5.33207810 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiBi2Sb _chemical_formula_sum 'Si1 Bi2 Sb1' _cell_volume 107.19499474 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.65552287 5.65552287 5.65552287 1 Bi Bi1 1 1.88517429 1.88517429 1.88517429 1 Sb Sb2 1 3.77034858 3.77034858 3.77034858 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2SbSi
Fm-3m
225
cubic
m-3m
8,795.788886
false
[CIF] data_YGa2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98142979 _cell_length_b 3.98142979 _cell_length_c 4.38442783 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YGa2Fe _chemical_formula_sum 'Y1 Ga2 Fe1' _cell_volume 69.50099930 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 0.00000000 1.99071490 2.19221391 1 Ga Ga2 1 1.99071490 0.00000000 2.19221391 1 Y Y3 1 1.99071490 1.99071490 0.00000000 1 [/CIF]
FeGa2Y
P4/mmm
123
tetragonal
4/mmm
6,790.117794
false
[CIF] data_TcGeRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73073066 _cell_length_b 4.73073066 _cell_length_c 4.59307650 _cell_angle_alpha 103.42451709 _cell_angle_beta 103.42451709 _cell_angle_gamma 35.36118857 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcGeRu2 _chemical_formula_sum 'Tc1 Ge1 Ru2' _cell_volume 57.69564687 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.37120555 0.00000000 3.53640339 1 Ru Ru1 1 7.88794490 0.00000000 4.21310567 1 Ru Ru2 1 6.47129012 0.00000000 1.34318858 1 Tc Tc3 1 4.00788212 -0.00000000 2.04387243 1 [/CIF]
GeRu2Tc
Cm
8
monoclinic
m
10,755.066758
false
[CIF] data_AsIrSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63097527 _cell_length_b 4.63097527 _cell_length_c 4.63097527 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsIrSe2 _chemical_formula_sum 'As1 Ir1 Se2' _cell_volume 70.22672065 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 3.27459402 3.27459402 3.27459402 1 Se Se2 1 4.91189103 4.91189103 4.91189103 1 Se Se3 1 1.63729701 1.63729701 1.63729701 1 [/CIF]
AsIrSe2
Fm-3m
225
cubic
m-3m
10,050.681626
false
[CIF] data_BeReSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14800033 _cell_length_b 4.14800033 _cell_length_c 3.05009635 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.17726905 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeReSi2 _chemical_formula_sum 'Be1 Re1 Si2' _cell_volume 50.64920515 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 2.52004879 0.00000000 0.00000000 1 Si Si2 1 1.26002439 -1.64736614 1.52504818 1 Si Si3 1 1.26002439 1.64736614 1.52504818 1 [/CIF]
BeReSi2
Cmmm
65
orthorhombic
mmm
8,241.851317
false
[CIF] data_K2ReIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78248579 _cell_length_b 2.78248579 _cell_length_c 11.63733536 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.50902340 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2ReIr _chemical_formula_sum 'K2 Re1 Ir1' _cell_volume 79.91214210 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 5.81866768 1 K K1 1 1.44329190 0.00000000 8.62407465 1 K K2 1 1.44329190 0.00000000 3.01326071 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrK2Re
Cmmm
65
orthorhombic
mmm
9,488.37467
false
[CIF] data_CrBiOsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59876233 _cell_length_b 4.59876233 _cell_length_c 4.59876233 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrBiOsPd _chemical_formula_sum 'Cr1 Bi1 Os1 Pd1' _cell_volume 68.77140522 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62590802 1.62590802 1.62590802 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 4.87772405 4.87772405 4.87772405 1 Pd Pd3 1 3.25181603 3.25181603 3.25181603 1 [/CIF]
BiCrOsPd
F-43m
216
cubic
-43m
13,464.325541
false
[CIF] data_YVCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99043739 _cell_length_b 4.99043739 _cell_length_c 4.99043739 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YVCd2 _chemical_formula_sum 'Y1 V1 Cd2' _cell_volume 87.88218299 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.52877212 3.52877212 3.52877212 1 Cd Cd1 1 5.29315818 5.29315818 5.29315818 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 1.76438606 1.76438606 1.76438606 1 [/CIF]
Cd2VY
F-43m
216
cubic
-43m
6,890.449025
false
[CIF] data_MnTlFeRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32840585 _cell_length_b 4.32840585 _cell_length_c 4.32840585 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTlFeRe _chemical_formula_sum 'Mn1 Tl1 Fe1 Re1' _cell_volume 57.34148408 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.06064513 3.06064513 3.06064513 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 4.59096769 4.59096770 4.59096770 1 Tl Tl3 1 1.53032256 1.53032256 1.53032257 1 [/CIF]
FeMnReTl
F-43m
216
cubic
-43m
14,519.157286
false
[CIF] data_HfTc2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29387972 _cell_length_b 4.29387972 _cell_length_c 3.25189379 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTc2P _chemical_formula_sum 'Hf1 Tc2 P1' _cell_volume 59.95647661 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 2.14693986 2.14693986 0.00000000 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 0.00000000 2.14693986 1.62594690 1 Tc Tc3 1 2.14693986 0.00000000 1.62594690 1 [/CIF]
HfPTc2
P4/mmm
123
tetragonal
4/mmm
11,279.846299
false
[CIF] data_LiCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03193292 _cell_length_b 4.03193292 _cell_length_c 4.03193292 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCo _chemical_formula_sum 'Li2 Co2' _cell_volume 46.34734885 _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 4.27651066 4.27651066 4.27651066 1 Co Co1 1 2.85100711 2.85100711 2.85100711 1 Li Li2 1 1.42550355 1.42550355 1.42550356 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2Li2
Fd-3m
227
cubic
m-3m
4,720.299089
false
[CIF] data_CdCo5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11699451 _cell_length_b 7.11588103 _cell_length_c 7.11588103 _cell_angle_alpha 21.08044950 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdCo5 _chemical_formula_sum 'Cd1 Co5' _cell_volume 74.98114292 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 2.05849725 0.00000000 0.06155266 1 Co Co1 1 0.00000000 0.00000000 10.85389082 1 Co Co2 1 2.05849725 0.00000000 9.49472751 1 Co Co3 1 0.00000000 0.00000000 5.92506533 1 Co Co4 1 2.05849725 0.00000000 4.54373090 1 Co Co5 1 0.00000000 0.00000000 1.76815923 1 [/CIF]
CdCo5
Amm2
38
orthorhombic
mm2
9,015.16293
false
[CIF] data_NaMgTcRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46837907 _cell_length_b 4.46837907 _cell_length_c 4.46837907 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMgTcRu _chemical_formula_sum 'Na1 Mg1 Tc1 Ru1' _cell_volume 63.08629585 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 1.57981057 1.57981057 1.57981057 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 3.15962114 3.15962114 3.15962114 1 Tc Tc3 1 4.73943171 4.73943171 4.73943171 1 [/CIF]
MgNaRuTc
F-43m
216
cubic
-43m
6,508.594283
false
[CIF] data_AgSbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.24155409 _cell_length_b 7.24155409 _cell_length_c 7.24155409 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSbO3 _chemical_formula_sum 'Ag4 Sb4 O12' _cell_volume 268.52228745 _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 Ag Ag0 1 1.28013800 1.28013800 1.28013800 1 Ag Ag1 1 3.84041400 3.84041400 1.28013800 1 Ag Ag2 1 1.28013800 3.84041400 3.84041400 1 Ag Ag3 1 3.84041400 1.28013800 3.84041400 1 O O4 1 5.61268400 7.68082800 7.68082800 1 O O5 1 9.74897200 7.68082800 7.68082800 1 O O6 1 7.68082800 5.61268400 7.68082800 1 O O7 1 7.68082800 7.68082800 5.61268400 1 O O8 1 7.68082800 9.74897200 7.68082800 1 O O9 1 7.68082800 7.68082800 9.74897200 1 O O10 1 5.12055200 7.18869600 5.12055200 1 O O11 1 5.12055200 3.05240800 5.12055200 1 O O12 1 7.18869600 5.12055200 5.12055200 1 O O13 1 5.12055200 5.12055200 7.18869600 1 O O14 1 3.05240800 5.12055200 5.12055200 1 O O15 1 5.12055200 5.12055200 3.05240800 1 Sb Sb16 1 6.40069000 6.40069000 6.40069000 1 Sb Sb17 1 3.84041400 3.84041400 6.40069000 1 Sb Sb18 1 6.40069000 3.84041400 3.84041400 1 Sb Sb19 1 3.84041400 6.40069000 3.84041400 1 [/CIF]
Ag4O12Sb4
Fd-3m
227
cubic
m-3m
6,867.35522
false
[CIF] data_Rb2LiVO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69720623 _cell_length_b 6.69720623 _cell_length_c 8.00760000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 126.96714670 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2LiVO4 _chemical_formula_sum 'Rb4 Li2 V2 O8' _cell_volume 286.96297996 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rb Rb0 1 2.98999700 1.25198353 3.61029853 1 Rb Rb1 1 2.98999700 -1.25198353 7.61409853 1 Rb Rb2 1 2.98999700 5.22854947 4.71583579 1 Rb Rb3 1 2.98999700 -5.22854947 0.71203579 1 Li Li4 1 2.98999700 3.58545818 1.37042867 1 Li Li5 1 2.98999700 -3.58545818 5.37422867 1 V V6 1 2.98999700 -2.29244861 3.11738270 1 V V7 1 2.98999700 2.29244861 7.12118270 1 O O8 1 4.41562757 1.76118350 6.26753250 1 O O9 1 1.56436643 -1.76118350 2.26373250 1 O O10 1 2.98999700 1.62102616 0.72710610 1 O O11 1 2.98999700 -1.62102616 4.73090610 1 O O12 1 1.56436643 1.76118350 6.26753250 1 O O13 1 4.41562757 -1.76118350 2.26373250 1 O O14 1 2.98999700 -4.02713237 3.38144933 1 O O15 1 2.98999700 4.02713237 7.38524933 1 [/CIF]
Li2O8Rb4V2
Cmc2_1
36
orthorhombic
mm2
3,388.812795
false
[CIF] data_SrEuZr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58759184 _cell_length_b 5.58759184 _cell_length_c 5.58759184 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrEuZr2 _chemical_formula_sum 'Sr1 Eu1 Zr2' _cell_volume 123.35564411 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Eu Eu0 1 3.95102408 3.95102408 3.95102408 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.97551204 1.97551204 1.97551204 1 Zr Zr3 1 5.92653612 5.92653612 5.92653612 1 [/CIF]
EuSrZr2
Fm-3m
225
cubic
m-3m
5,681.139509
false
[CIF] data_AlSbMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41623755 _cell_length_b 4.41623755 _cell_length_c 4.41623755 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSbMo _chemical_formula_sum 'Al1 Sb1 Mo1' _cell_volume 60.90350415 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 4.68412728 4.68412728 4.68412728 1 Sb Sb2 1 1.56137576 1.56137576 1.56137576 1 [/CIF]
AlMoSb
F-43m
216
cubic
-43m
6,671.807644
false
[CIF] data_ZrTl2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08596416 _cell_length_b 5.08596416 _cell_length_c 5.08596416 _cell_angle_alpha 127.83858227 _cell_angle_beta 127.83858227 _cell_angle_gamma 76.88666462 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTl2Fe _chemical_formula_sum 'Zr1 Tl2 Fe1' _cell_volume 79.66244166 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tl Tl1 1 2.23597693 -0.00000000 1.99172324 1 Tl Tl2 1 0.00000000 2.23597693 1.99172324 1 Zr Zr3 1 0.00000000 -0.00000000 3.98344647 1 [/CIF]
FeTl2Zr
I4/mmm
139
tetragonal
4/mmm
11,586.221927
false
[CIF] data_NaLiBeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57276081 _cell_length_b 4.57276081 _cell_length_c 4.57276081 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiBeAu _chemical_formula_sum 'Na1 Li1 Be1 Au1' _cell_volume 67.61148246 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.85014527 4.85014527 4.85014527 1 Be Be1 1 1.61671509 1.61671509 1.61671509 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Na Na3 1 3.23343018 3.23343018 3.23343018 1 [/CIF]
AuBeLiNa
F-43m
216
cubic
-43m
5,793.941508
false
[CIF] data_LaIr2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56749181 _cell_length_b 3.56749181 _cell_length_c 8.02982280 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaIr2Br _chemical_formula_sum 'La1 Ir2 Br1' _cell_volume 102.19553723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.59468155 1 Ir Ir1 1 1.78374590 1.78374590 1.06391499 1 Ir Ir2 1 0.00000000 0.00000000 1.65316691 1 La La3 1 1.78374590 1.78374590 3.73297075 1 [/CIF]
BrIr2La
P4mm
99
tetragonal
4mm
9,801.889356
false
[CIF] data_SrTiAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27850921 _cell_length_b 5.27850921 _cell_length_c 5.27850921 _cell_angle_alpha 128.07080901 _cell_angle_beta 128.07080901 _cell_angle_gamma 76.51034841 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTiAl2 _chemical_formula_sum 'Sr1 Ti1 Al2' _cell_volume 88.55039344 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.31101408 2.07250376 1 Al Al1 1 2.31101408 -0.00000000 2.07250376 1 Sr Sr2 1 0.00000000 0.00000000 4.14500752 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2SrTi
I4/mmm
139
tetragonal
4/mmm
3,552.682195
false
[CIF] data_HfCrFeCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24613903 _cell_length_b 4.24613903 _cell_length_c 4.24613903 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCrFeCo _chemical_formula_sum 'Hf1 Cr1 Fe1 Co1' _cell_volume 54.13368998 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50123685 1.50123685 1.50123685 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 3.00247370 3.00247370 3.00247370 1 Hf Hf3 1 4.50371055 4.50371055 4.50371055 1 [/CIF]
CoCrFeHf
F-43m
216
cubic
-43m
10,590.906521
false
[CIF] data_SmTm2Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48430605 _cell_length_b 5.48430605 _cell_length_c 5.48430605 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmTm2Sc _chemical_formula_sum 'Sm1 Tm2 Sc1' _cell_volume 116.64068197 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 -0.00000000 0.00000000 0.00000000 1 Sm Sm1 1 3.87799000 3.87799000 3.87799000 1 Tm Tm2 1 5.81698500 5.81698500 5.81698500 1 Tm Tm3 1 1.93899500 1.93899500 1.93899500 1 [/CIF]
ScSmTm2
Fm-3m
225
cubic
m-3m
7,590.605593
false
[CIF] data_NbAg2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91828105 _cell_length_b 2.91828105 _cell_length_c 8.10483028 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAg2Ir _chemical_formula_sum 'Nb1 Ag2 Ir1' _cell_volume 69.02368715 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45914053 1.45914053 8.10148679 1 Ag Ag1 1 0.00000000 0.00000000 2.09422282 1 Ir Ir2 1 1.45914053 1.45914053 4.18006695 1 Nb Nb3 1 0.00000000 0.00000000 5.88629914 1 [/CIF]
Ag2IrNb
P4mm
99
tetragonal
4mm
12,049.446588
false
[CIF] data_NaHf2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15509706 _cell_length_b 3.15509706 _cell_length_c 9.19044992 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHf2Cr _chemical_formula_sum 'Na1 Hf2 Cr1' _cell_volume 91.48759704 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.59522496 1 Hf Hf1 1 1.57754853 1.57754853 6.11734130 1 Hf Hf2 1 1.57754853 1.57754853 3.07310862 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrHf2Na
P4/mmm
123
tetragonal
4/mmm
7,840.609204
false
[CIF] data_KScCoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69699792 _cell_length_b 4.69699792 _cell_length_c 4.69699792 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KScCoOs _chemical_formula_sum 'K1 Sc1 Co1 Os1' _cell_volume 73.27335978 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66063954 1.66063954 1.66063954 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 3.32127908 3.32127908 3.32127908 1 Sc Sc3 1 4.98191862 4.98191862 4.98191862 1 [/CIF]
CoKOsSc
F-43m
216
cubic
-43m
7,551.455585
false
[CIF] data_AgGe2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99248567 _cell_length_b 4.99248567 _cell_length_c 4.99248567 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgGe2Te _chemical_formula_sum 'Ag1 Ge2 Te1' _cell_volume 87.99043856 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 5.29533071 5.29533071 5.29533071 1 Ge Ge2 1 1.76511024 1.76511024 1.76511024 1 Te Te3 1 3.53022047 3.53022047 3.53022047 1 [/CIF]
AgGe2Te
Fm-3m
225
cubic
m-3m
7,185.408676
false
[CIF] data_Cu5Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93685546 _cell_length_b 7.57306884 _cell_length_c 7.57306884 _cell_angle_alpha 22.35587639 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu5Cl _chemical_formula_sum 'Cu5 Cl1' _cell_volume 85.87883432 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.63947589 1 Cu Cu1 1 0.00000000 0.00000000 10.25762604 1 Cu Cu2 1 0.00000000 0.00000000 4.90138395 1 Cu Cu3 1 1.96842773 -0.00000000 8.65374224 1 Cu Cu4 1 1.96842773 0.00000000 3.27295338 1 Cu Cu5 1 1.96842773 0.00000000 12.75713479 1 [/CIF]
ClCu5
Amm2
38
orthorhombic
mm2
6,829.088609
false
[CIF] data_CaPbBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62563898 _cell_length_b 5.62563898 _cell_length_c 5.62563898 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPbBr3 _chemical_formula_sum 'Ca1 Pb1 Br3' _cell_volume 178.03917569 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.81281949 2.81281949 2.81281949 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Br Br2 1 0.00000000 2.81281949 0.00000000 1 Br Br3 1 0.00000000 0.00000000 2.81281949 1 Br Br4 1 2.81281949 0.00000000 0.00000000 1 [/CIF]
Br3CaPb
Pm-3m
221
cubic
m-3m
4,542.067311
false
[CIF] data_BiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48094954 _cell_length_b 4.48094954 _cell_length_c 24.95750000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiTe _chemical_formula_sum 'Bi6 Te6' _cell_volume 433.98210086 _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 Bi Bi0 1 -0.00000000 2.58707742 7.26260754 1 Bi Bi1 1 2.24047477 1.29353871 17.69489246 1 Bi Bi2 1 0.00000000 0.00000000 21.74604377 1 Bi Bi3 1 0.00000000 0.00000000 3.21145623 1 Bi Bi4 1 2.24047477 1.29353871 11.63945423 1 Bi Bi5 1 -0.00000000 2.58707742 13.31804577 1 Te Te6 1 -0.00000000 2.58707742 1.51407170 1 Te Te7 1 2.24047477 1.29353871 23.44342831 1 Te Te8 1 0.00000000 0.00000000 15.97002972 1 Te Te9 1 0.00000000 0.00000000 8.98747028 1 Te Te10 1 2.24047477 1.29353871 5.24931097 1 Te Te11 1 -0.00000000 2.58707742 19.70818903 1 [/CIF]
Bi6Te6
P-3m1
164
trigonal
-3m
7,727.11405
false
[CIF] data_TcMoPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92991167 _cell_length_b 4.92991167 _cell_length_c 4.92991167 _cell_angle_alpha 134.34666150 _cell_angle_beta 134.34666150 _cell_angle_gamma 66.54705265 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcMoPd2 _chemical_formula_sum 'Tc1 Mo1 Pd2' _cell_volume 60.30521315 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 1.91253281 -0.00000000 2.06085332 1 Pd Pd2 1 0.00000000 1.91253281 2.06085332 1 Tc Tc3 1 0.00000000 -0.00000000 4.12170663 1 [/CIF]
MoPd2Tc
I4/mmm
139
tetragonal
4/mmm
11,226.426994
false
[CIF] data_SrHfRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76892375 _cell_length_b 4.76892375 _cell_length_c 4.76892375 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHfRu2 _chemical_formula_sum 'Sr1 Hf1 Ru2' _cell_volume 76.69130659 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.37213832 3.37213832 3.37213832 1 Ru Ru1 1 1.68606916 1.68606916 1.68606916 1 Ru Ru2 1 5.05820748 5.05820748 5.05820748 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfRu2Sr
Fm-3m
225
cubic
m-3m
10,138.664374
false
[CIF] data_CdNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73225755 _cell_length_b 3.73225755 _cell_length_c 3.73225755 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdNi3 _chemical_formula_sum 'Cd1 Ni3' _cell_volume 51.98940124 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 1.86612878 1.86612878 0.00000000 1 Ni Ni2 1 1.86612878 0.00000000 1.86612878 1 Ni Ni3 1 0.00000000 1.86612878 1.86612878 1 [/CIF]
CdNi3
Pm-3m
221
cubic
m-3m
9,214.39556
false
[CIF] data_TlTe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.80752291 _cell_length_b 12.80752291 _cell_length_c 12.80752291 _cell_angle_alpha 158.70163093 _cell_angle_beta 158.70163093 _cell_angle_gamma 30.29913875 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlTe3 _chemical_formula_sum 'Tl2 Te6' _cell_volume 276.99668447 _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 Te Te0 1 2.36676704 0.00000000 -0.00000000 1 Te Te1 1 0.00000000 2.36676704 -0.00000000 1 Te Te2 1 2.36676704 -0.00000000 6.18121086 1 Te Te3 1 -0.00000000 2.36676704 6.18121086 1 Te Te4 1 0.00000000 -0.00000000 2.06621981 1 Te Te5 1 0.00000000 -0.00000000 22.65862361 1 Tl Tl6 1 0.00000000 -0.00000000 8.71510800 1 Tl Tl7 1 0.00000000 -0.00000000 16.00973542 1 [/CIF]
Te6Tl2
I4/mmm
139
tetragonal
4/mmm
7,040.090106
false
[CIF] data_CaTaCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.97904517 _cell_length_b 9.97904517 _cell_length_c 9.97904517 _cell_angle_alpha 18.97412958 _cell_angle_beta 18.97412958 _cell_angle_gamma 18.97412958 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTaCl2 _chemical_formula_sum 'Ca1 Ta1 Cl2' _cell_volume 91.81036113 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 0.00000000 0.00000000 22.69998260 1 Cl Cl2 1 0.00000000 0.00000000 6.68994521 1 Ta Ta3 1 0.00000000 0.00000000 14.69496391 1 [/CIF]
CaCl2Ta
R-3m
166
trigonal
-3m
5,280.060828
false
[CIF] data_ZnBAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86803554 _cell_length_b 4.86803554 _cell_length_c 5.44591721 _cell_angle_alpha 119.57551744 _cell_angle_beta 119.57551744 _cell_angle_gamma 34.18720057 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnBAu2 _chemical_formula_sum 'Zn1 B1 Au2' _cell_volume 62.10010249 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.56545922 -0.00000000 4.40339430 1 Au Au1 1 6.79706004 -0.00000000 1.32108324 1 B B2 1 2.90975415 -0.00000000 2.84655651 1 Zn Zn3 1 -0.03772240 -0.00000000 3.08811606 1 [/CIF]
Au2BZn
Cm
8
monoclinic
m
12,570.985651
false
[CIF] data_Sr3Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45179753 _cell_length_b 7.45179753 _cell_length_c 7.45179753 _cell_angle_alpha 148.71340543 _cell_angle_beta 130.30695762 _cell_angle_gamma 59.90317822 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3Cu _chemical_formula_sum 'Sr3 Cu1' _cell_volume 162.49000128 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Sr Sr1 1 0.00000000 0.00000000 6.45659178 1 Sr Sr2 1 2.00935922 -0.00000000 2.37835105 1 Sr Sr3 1 0.00000000 3.13116344 4.07824073 1 [/CIF]
CuSr3
Immm
71
orthorhombic
mmm
3,335.657432
false
[CIF] data_Cu2BBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67821140 _cell_length_b 2.67821140 _cell_length_c 8.63121556 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2BBr _chemical_formula_sum 'Cu2 B1 Br1' _cell_volume 61.91012368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 0.00000000 0.00000000 4.31560778 1 Cu Cu2 1 1.33910570 1.33910570 7.44395328 1 Cu Cu3 1 1.33910570 1.33910570 1.18726228 1 [/CIF]
BBrCu2
P4/mmm
123
tetragonal
4/mmm
5,841.969147
false
[CIF] data_Zr2AlCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31150559 _cell_length_b 3.31150559 _cell_length_c 6.58447817 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2AlCr _chemical_formula_sum 'Zr2 Al1 Cr1' _cell_volume 72.20584374 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.54185817 1 Cr Cr1 1 1.65575279 1.65575279 4.79395114 1 Zr Zr2 1 0.00000000 0.00000000 6.35859040 1 Zr Zr3 1 1.65575279 1.65575279 1.76679564 1 [/CIF]
AlCrZr2
P4mm
99
tetragonal
4mm
6,012.08245
false
[CIF] data_SiMoRuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33825813 _cell_length_b 4.33825813 _cell_length_c 4.33825813 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiMoRuPt _chemical_formula_sum 'Si1 Mo1 Ru1 Pt1' _cell_volume 57.73393642 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 4.60141761 4.60141761 4.60141761 1 Ru Ru2 1 3.06761174 3.06761174 3.06761174 1 Pt Pt3 1 1.53380587 1.53380587 1.53380587 1 [/CIF]
MoPtRuSi
F-43m
216
cubic
-43m
12,085.745902
false
[CIF] data_Mg2InRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30764503 _cell_length_b 5.30764503 _cell_length_c 2.87338404 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.17676032 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2InRe _chemical_formula_sum 'Mg2 In1 Re1' _cell_volume 73.84627155 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 1.44194045 2.22790972 1.43669202 1 Mg Mg2 1 1.44194045 -2.22790972 1.43669202 1 Re Re3 1 2.88388089 -0.00000000 0.00000000 1 [/CIF]
InMg2Re
Cmmm
65
orthorhombic
mmm
7,862.043192
false
[CIF] data_Tc2NiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15645794 _cell_length_b 5.15645794 _cell_length_c 5.15645794 _cell_angle_alpha 143.46677133 _cell_angle_beta 130.36564797 _cell_angle_gamma 63.18090695 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2NiSb _chemical_formula_sum 'Tc2 Ni1 Sb1' _cell_volume 61.45774358 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 0.00000000 0.00000000 4.39234424 1 Tc Tc2 1 1.61623596 0.00000000 2.26098441 1 Tc Tc3 1 -0.00000000 2.16429016 2.13135983 1 [/CIF]
NiSbTc2
Immm
71
orthorhombic
mmm
10,220.439311
false
[CIF] data_IrPdSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18254507 _cell_length_b 3.18254507 _cell_length_c 6.54011691 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrPdSe2 _chemical_formula_sum 'Ir1 Pd1 Se2' _cell_volume 66.24218316 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 3.27005846 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 1.59127254 1.59127254 1.70765180 1 Se Se3 1 1.59127254 1.59127254 4.83246511 1 [/CIF]
IrPdSe2
P4/mmm
123
tetragonal
4/mmm
11,444.833164
false
[CIF] data_RePb2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23027614 _cell_length_b 3.23027614 _cell_length_c 9.54791343 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RePb2Br _chemical_formula_sum 'Re1 Pb2 Br1' _cell_volume 99.62945893 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.39517303 1 Pb Pb1 1 1.61513807 1.61513807 0.08054553 1 Pb Pb2 1 0.00000000 0.00000000 2.92553519 1 Re Re3 1 1.61513807 1.61513807 4.92061639 1 [/CIF]
BrPb2Re
P4mm
99
tetragonal
4mm
11,342.178436
false
[CIF] data_ScSnHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32660782 _cell_length_b 5.32660782 _cell_length_c 3.56297148 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.25668079 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSnHg2 _chemical_formula_sum 'Sc1 Sn1 Hg2' _cell_volume 94.83890318 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.52271772 -2.18506715 1.78148574 1 Hg Hg1 1 1.52271772 2.18506715 1.78148574 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.04543544 0.00000000 0.00000000 1 [/CIF]
Hg2ScSn
Cmmm
65
orthorhombic
mmm
9,889.915131
false
[CIF] data_PrTcRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64791130 _cell_length_b 4.64791130 _cell_length_c 4.64791130 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrTcRu2 _chemical_formula_sum 'Pr1 Tc1 Ru2' _cell_volume 71.00002413 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pr Pr0 1 3.28656960 3.28656960 3.28656960 1 Ru Ru1 1 1.64328480 1.64328480 1.64328480 1 Ru Ru2 1 4.92985440 4.92985440 4.92985440 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PrRu2Tc
Fm-3m
225
cubic
m-3m
10,336.357524
false
[CIF] data_K2Sm2IrO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.07392300 _cell_length_b 13.07392300 _cell_length_c 13.07392300 _cell_angle_alpha 25.34190632 _cell_angle_beta 25.34190632 _cell_angle_gamma 25.34190632 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2Sm2IrO7 _chemical_formula_sum 'K4 Sm4 Ir2 O14' _cell_volume 360.32332594 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 -0.00000000 15.66852115 1 K K1 1 0.00000000 -0.00000000 34.63992592 1 K K2 1 -0.00000000 -0.00000000 3.30288363 1 K K3 1 -0.00000000 0.00000000 22.27428840 1 Sm Sm4 1 0.00000000 0.00000000 30.70150023 1 Sm Sm5 1 -0.00000000 -0.00000000 11.73009546 1 Sm Sm6 1 0.00000000 0.00000000 26.21271409 1 Sm Sm7 1 -0.00000000 -0.00000000 7.24130932 1 Ir Ir8 1 -0.00000000 0.00000000 18.97140477 1 Ir Ir9 1 0.00000000 0.00000000 0.00000000 1 O O10 1 1.11299354 -1.24379787 20.00406893 1 O O11 1 1.75479260 0.41191923 13.68026733 1 O O12 1 -1.75479260 -0.41191923 24.26254221 1 O O13 1 0.52066378 1.58577961 20.00406893 1 O O14 1 -1.23412882 1.31373536 13.68026733 1 O O15 1 -1.11299354 1.24379787 17.93874062 1 O O16 1 -1.63365732 -0.34198174 20.00406893 1 O O17 1 -0.52066378 -1.58577961 17.93874062 1 O O18 1 0.52066378 1.72565459 24.26254221 1 O O19 1 -0.52066378 -1.72565459 13.68026733 1 O O20 1 1.63365732 0.34198174 17.93874062 1 O O21 1 0.00000000 -0.00000000 28.45710716 1 O O22 1 -0.00000000 -0.00000000 9.48570239 1 O O23 1 1.23412882 -1.31373536 24.26254221 1 [/CIF]
Ir2K4O14Sm4
R-3c
167
trigonal
-3m
6,296.361835
false
[CIF] data_SrLiY2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06294230 _cell_length_b 7.06294230 _cell_length_c 7.06294230 _cell_angle_alpha 148.82024056 _cell_angle_beta 131.47553260 _cell_angle_gamma 58.81203264 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLiY2 _chemical_formula_sum 'Sr1 Li1 Y2' _cell_volume 135.58586752 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 0.00000000 -0.00000000 6.15296877 1 Y Y2 1 1.89816356 -0.00000000 2.74573130 1 Y Y3 1 0.00000000 2.90225849 3.40723747 1 [/CIF]
LiSrY2
Immm
71
orthorhombic
mmm
3,335.786519
false
[CIF] data_CaVZnSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94333673 _cell_length_b 4.94333673 _cell_length_c 4.94333673 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaVZnSn _chemical_formula_sum 'Ca1 V1 Zn1 Sn1' _cell_volume 85.41724996 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 3.49546692 3.49546692 3.49546692 1 V V2 1 1.74773346 1.74773346 1.74773346 1 Zn Zn3 1 5.24320038 5.24320038 5.24320038 1 [/CIF]
CaSnVZn
F-43m
216
cubic
-43m
5,348.217984
false
[CIF] data_Hf2ZrRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79786576 _cell_length_b 5.79786576 _cell_length_c 5.79786576 _cell_angle_alpha 146.48630901 _cell_angle_beta 130.03423889 _cell_angle_gamma 61.51040355 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ZrRe _chemical_formula_sum 'Hf2 Zr1 Re1' _cell_volume 81.57746024 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.44871380 2.16578031 1 Hf Hf1 1 1.67158658 0.00000000 2.81667354 1 Re Re2 1 -0.00000000 -0.00000000 4.98245385 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2ReZr
Immm
71
orthorhombic
mmm
12,913.98107
false
[CIF] data_Tl2BiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21827028 _cell_length_b 6.21827028 _cell_length_c 5.91748866 _cell_angle_alpha 99.75205442 _cell_angle_beta 99.75205442 _cell_angle_gamma 32.87119542 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2BiSb _chemical_formula_sum 'Tl2 Bi1 Sb1' _cell_volume 122.23569543 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.44166428 -0.00000000 2.91224031 1 Sb Sb1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 8.67481462 -0.00000000 1.43683914 1 Tl Tl3 1 2.20851394 -0.00000000 4.38764148 1 [/CIF]
BiSbTl2
C2/m
12
monoclinic
2/m
10,046.003822
false
[CIF] data_Mg2GeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10137212 _cell_length_b 5.10137212 _cell_length_c 5.10137212 _cell_angle_alpha 135.19029632 _cell_angle_beta 135.19029632 _cell_angle_gamma 65.23466539 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2GeRu _chemical_formula_sum 'Mg2 Ge1 Ru1' _cell_volume 64.97871748 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Mg Mg1 1 1.94438118 -0.00000000 2.14841577 1 Mg Mg2 1 0.00000000 1.94438118 2.14841576 1 Ru Ru3 1 0.00000000 -0.00000000 4.29683153 1 [/CIF]
GeMg2Ru
I4/mmm
139
tetragonal
4/mmm
5,681.414771
false
[CIF] data_SrMgAlZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12693853 _cell_length_b 5.12693853 _cell_length_c 5.12693853 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMgAlZn _chemical_formula_sum 'Sr1 Mg1 Al1 Zn1' _cell_volume 95.29263434 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81264650 1.81264650 1.81264650 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 3.62529300 3.62529300 3.62529300 1 Zn Zn3 1 5.43793950 5.43793950 5.43793950 1 [/CIF]
AlMgSrZn
F-43m
216
cubic
-43m
3,559.832095
false
[CIF] data_KLaNbTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06106348 _cell_length_b 5.06106348 _cell_length_c 5.06106348 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLaNbTc _chemical_formula_sum 'K1 La1 Nb1 Tc1' _cell_volume 91.66643831 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 5.36806846 5.36806847 5.36806846 1 Nb Nb2 1 1.78935616 1.78935616 1.78935615 1 Tc Tc3 1 3.57871231 3.57871231 3.57871231 1 [/CIF]
KLaNbTc
F-43m
216
cubic
-43m
6,699.229379
false
[CIF] data_ZnGeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.14981824 _cell_length_b 6.76184606 _cell_length_c 3.48331452 _cell_angle_alpha 81.77876352 _cell_angle_beta 69.39319190 _cell_angle_gamma 28.82804458 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnGeBr _chemical_formula_sum 'Zn1 Ge1 Br1' _cell_volume 70.72230892 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83523041 2.96064341 12.66905737 1 Ge Ge1 1 1.83523041 2.96064341 8.98532556 1 Zn Zn2 1 1.83523041 2.96064341 4.37774843 1 [/CIF]
BrGeZn
Fmm2
42
orthorhombic
mm2
5,116.79159
false
[CIF] data_CrGeTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53744428 _cell_length_b 4.53744428 _cell_length_c 4.53744428 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGeTe _chemical_formula_sum 'Cr1 Ge1 Te1' _cell_volume 66.05701078 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 3.20845762 3.20845762 3.20845762 1 Te Te2 1 1.60422881 1.60422881 1.60422881 1 [/CIF]
CrGeTe
F-43m
216
cubic
-43m
6,340.703176
false
[CIF] data_BRuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35511898 _cell_length_b 3.35511898 _cell_length_c 3.35511898 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BRuO3 _chemical_formula_sum 'B1 Ru1 O3' _cell_volume 37.76798174 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67755949 1.67755949 1.67755949 1 B B1 1 0.00000000 0.00000000 0.00000000 1 O O2 1 0.00000000 1.67755949 0.00000000 1 O O3 1 0.00000000 0.00000000 1.67755949 1 O O4 1 1.67755949 0.00000000 0.00000000 1 [/CIF]
BO3Ru
Pm-3m
221
cubic
m-3m
7,029.38429
false
[CIF] data_NbInNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92177771 _cell_length_b 5.92177771 _cell_length_c 5.92177771 _cell_angle_alpha 150.68719035 _cell_angle_beta 150.68719035 _cell_angle_gamma 41.93360879 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbInNi _chemical_formula_sum 'Nb1 In1 Ni1' _cell_volume 49.65703110 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.14894161 1 Nb Nb1 1 0.00000000 -0.00000000 3.48148994 1 Ni Ni2 1 -0.00000000 -0.00000000 7.42893718 1 [/CIF]
InNbNi
I4mm
107
tetragonal
4mm
8,909.053199
false
[CIF] data_SiHg2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78635866 _cell_length_b 4.78635866 _cell_length_c 7.30446784 _cell_angle_alpha 105.38740291 _cell_angle_beta 105.38740291 _cell_angle_gamma 34.21036761 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiHg2W _chemical_formula_sum 'Si1 Hg2 W1' _cell_volume 90.38545234 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.21024425 -0.00000000 0.23397775 1 Hg Hg1 1 1.33350783 0.00000000 5.05769404 1 Si Si2 1 3.33566694 0.00000000 2.70222534 1 W W3 1 5.80265490 0.00000000 2.53209313 1 [/CIF]
Hg2SiW
Cm
8
monoclinic
m
11,263.821869
false
[CIF] data_CdFeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21874734 _cell_length_b 4.21874734 _cell_length_c 4.21874734 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdFeRh _chemical_formula_sum 'Cd1 Fe1 Rh1' _cell_volume 53.09279028 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 2.98310485 2.98310485 2.98310485 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 4.47465728 4.47465728 4.47465728 1 [/CIF]
CdFeRh
F-43m
216
cubic
-43m
8,480.892824
false
[CIF] data_Cd2CoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01030145 _cell_length_b 3.01030145 _cell_length_c 7.56888856 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2CoPd _chemical_formula_sum 'Cd2 Co1 Pd1' _cell_volume 68.58862341 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.34219134 1 Cd Cd1 1 1.50515073 1.50515073 2.17162622 1 Co Co2 1 0.00000000 0.00000000 3.98987724 1 Pd Pd3 1 1.50515073 1.50515073 5.41852660 1 [/CIF]
Cd2CoPd
P4mm
99
tetragonal
4mm
9,446.189789
false
[CIF] data_MgTlSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72447411 _cell_length_b 3.72447411 _cell_length_c 7.77000467 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTlSn2 _chemical_formula_sum 'Mg1 Tl1 Sn2' _cell_volume 107.78323125 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.91547208 1 Sn Sn1 1 1.86223706 1.86223706 7.69107121 1 Sn Sn2 1 0.00000000 0.00000000 1.80437799 1 Tl Tl3 1 1.86223706 1.86223706 4.01409032 1 [/CIF]
MgSn2Tl
P4mm
99
tetragonal
4mm
7,180.996825
false
[CIF] data_CrAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41262280 _cell_length_b 3.41262280 _cell_length_c 5.83958273 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAs _chemical_formula_sum 'Cr2 As2' _cell_volume 68.00774763 _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 As As0 1 1.70631140 0.00000000 1.80570871 1 As As1 1 0.00000000 1.70631140 4.03387402 1 Cr Cr2 1 1.70631140 1.70631140 0.00000000 1 Cr Cr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2Cr2
P4/nmm
129
tetragonal
4/mmm
6,197.876167
false
[CIF] data_HfZrSnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77177990 _cell_length_b 4.77177990 _cell_length_c 4.77177990 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrSnIr _chemical_formula_sum 'Hf1 Zr1 Sn1 Ir1' _cell_volume 76.82918268 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68707896 1.68707896 1.68707896 1 Zr Zr1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 5.06123689 5.06123689 5.06123689 1 Ir Ir3 1 3.37415793 3.37415793 3.37415793 1 [/CIF]
HfIrSnZr
F-43m
216
cubic
-43m
12,549.620216
false
[CIF] data_FeBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.98036513 _cell_length_b 6.98036513 _cell_length_c 7.51186118 _cell_angle_alpha 120.39999930 _cell_angle_beta 120.39999930 _cell_angle_gamma 27.96319584 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeBi2 _chemical_formula_sum 'Fe2 Bi4' _cell_volume 146.44350570 _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 Bi Bi0 1 4.14450193 0.00000000 5.47428215 1 Bi Bi1 1 9.59832725 -0.00000000 2.66099130 1 Bi Bi2 1 0.03148166 -0.00000000 3.74858940 1 Bi Bi3 1 5.48530699 -0.00000000 0.93529855 1 Fe Fe4 1 2.79531222 0.00000000 0.53182486 1 Fe Fe5 1 6.83449670 0.00000000 5.87775583 1 [/CIF]
Bi4Fe2
C2/m
12
monoclinic
2/m
10,745.072472
false
[CIF] data_Al2AsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53099017 _cell_length_b 3.43710163 _cell_length_c 6.55397744 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.17615025 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2AsSe _chemical_formula_sum 'Al2 As1 Se1' _cell_volume 79.54113277 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69781331 1.71855082 5.17487337 1 Al Al1 1 1.81302733 1.71855082 1.37907309 1 As As2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 1.75542032 0.00000000 3.27697323 1 [/CIF]
Al2AsSe
P2/m
10
monoclinic
2/m
4,339.065767
false
[CIF] data_PtWAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77646848 _cell_length_b 4.90524388 _cell_length_c 4.94877289 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.98205314 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PtWAu2 _chemical_formula_sum 'Pt1 W1 Au2' _cell_volume 67.38869999 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.02579937 2.45262194 1.21947413 1 Au Au1 1 0.66585099 2.45262194 3.72857184 1 Pt Pt2 1 1.34582518 0.00000000 2.47402299 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2PtW
P2/m
10
monoclinic
2/m
19,044.134562
false
[CIF] data_MgTaIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72345343 _cell_length_b 4.72345343 _cell_length_c 4.72345343 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTaIn _chemical_formula_sum 'Mg1 Ta1 In1' _cell_volume 74.51846759 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.33998595 3.33998595 3.33998595 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.66999298 1.66999298 1.66999297 1 [/CIF]
InMgTa
F-43m
216
cubic
-43m
7,132.328637
false
[CIF] data_Ba4ReBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87258346 _cell_length_b 6.87258346 _cell_length_c 6.87258346 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4ReBi _chemical_formula_sum 'Ba4 Re1 Bi1' _cell_volume 229.53296684 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 6.07941416 6.07941416 3.63988658 1 Ba Ba1 1 6.07941416 3.63988658 6.07941416 1 Ba Ba2 1 3.63988658 6.07941416 6.07941416 1 Ba Ba3 1 3.63988658 3.63988658 3.63988658 1 Bi Bi4 1 7.28947556 7.28947556 7.28947556 1 Re Re5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba4BiRe
F-43m
216
cubic
-43m
6,832.88127
false
[CIF] data_In2Se3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.88617748 _cell_length_b 8.88617748 _cell_length_c 8.88617748 _cell_angle_alpha 26.91635059 _cell_angle_beta 26.91635059 _cell_angle_gamma 26.91635059 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2Se3 _chemical_formula_sum 'In2 Se3' _cell_volume 126.81863074 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 20.34041850 1 In In1 1 0.00000000 0.00000000 5.33742150 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 0.00000000 0.00000000 15.43644750 1 Se Se4 1 -0.00000000 -0.00000000 10.24139250 1 [/CIF]
In2Se3
R-3m
166
trigonal
-3m
6,108.472122
false
[CIF] data_NbCoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80670302 _cell_length_b 4.80670302 _cell_length_c 4.80670302 _cell_angle_alpha 147.10117207 _cell_angle_beta 133.56364957 _cell_angle_gamma 58.07620008 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCoOs _chemical_formula_sum 'Nb1 Co1 Os1' _cell_volume 43.35704109 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.30514138 1 Nb Nb1 1 -0.00000000 0.00000000 5.59454127 1 Os Os2 1 0.00000000 0.00000000 2.91026403 1 [/CIF]
CoNbOs
Imm2
44
orthorhombic
mm2
13,100.983796
false
[CIF] data_GaRe2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82972083 _cell_length_b 2.82972083 _cell_length_c 6.91459732 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaRe2Ni _chemical_formula_sum 'Ga1 Re2 Ni1' _cell_volume 55.36739324 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.41486041 1.41486041 3.59574169 1 Ni Ni1 1 0.00000000 0.00000000 5.09972096 1 Re Re2 1 1.41486041 1.41486041 6.87945340 1 Re Re3 1 0.00000000 0.00000000 1.71157726 1 [/CIF]
GaNiRe2
P4mm
99
tetragonal
4mm
15,020.545419
false
[CIF] data_K2BaSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18269334 _cell_length_b 6.18269334 _cell_length_c 6.18269334 _cell_angle_alpha 119.62637252 _cell_angle_beta 119.62637252 _cell_angle_gamma 90.64836924 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2BaSb _chemical_formula_sum 'K2 Ba1 Sb1' _cell_volume 168.04815133 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10878821 2.17350918 1 K K1 1 0.00000000 0.00000000 0.00000000 1 K K2 1 3.10878821 0.00000000 2.17350919 1 Sb Sb3 1 -0.00000000 0.00000000 4.34701837 1 [/CIF]
BaK2Sb
I-4m2
119
tetragonal
-42m
3,332.810209
false
[CIF] data_Zr(MoP4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.09217903 _cell_length_b 8.09217903 _cell_length_c 4.58951553 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr(MoP4)2 _chemical_formula_sum 'Zr1 Mo2 P8' _cell_volume 260.27259411 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 4.04608952 2.33601087 1.04649715 1 Mo Mo1 1 -0.00000000 4.67202174 3.54301838 1 P P2 1 4.04608952 4.62835605 0.84991724 1 P P3 1 2.06086036 1.18983828 0.84991724 1 P P4 1 6.03131867 1.18983828 0.84991724 1 P P5 1 0.00000000 2.37967657 3.73959829 1 P P6 1 -1.98522916 5.81819433 3.73959829 1 P P7 1 1.98522916 5.81819433 3.73959829 1 P P8 1 4.04608952 2.33601087 3.31020396 1 P P9 1 -0.00000000 4.67202174 1.27931157 1 Zr Zr10 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2P8Zr
P-3m1
164
trigonal
-3m
3,386.013534
false
[CIF] data_ZrBRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20224963 _cell_length_b 5.20224963 _cell_length_c 5.20224963 _cell_angle_alpha 147.25969218 _cell_angle_beta 147.25969218 _cell_angle_gamma 46.97941884 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBRu _chemical_formula_sum 'Zr1 B1 Ru1' _cell_volume 41.02756566 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.34471362 1 Ru Ru1 1 0.00000000 0.00000000 5.93490315 1 Zr Zr2 1 0.00000000 -0.00000000 3.26267909 1 [/CIF]
BRuZr
I4mm
107
tetragonal
4mm
8,220.419167
false
[CIF] data_KB2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.55742545 _cell_length_b 4.07317027 _cell_length_c 5.90154317 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KB2Os _chemical_formula_sum 'K1 B2 Os1' _cell_volume 61.47536787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 B B1 1 1.27871273 0.00000000 2.95077159 1 K K2 1 1.27871273 2.03658514 0.00000000 1 Os Os3 1 0.00000000 2.03658514 2.95077159 1 [/CIF]
B2KOs
Pmmm
47
orthorhombic
mmm
6,778.532465
false
[CIF] data_CaTl2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38010534 _cell_length_b 3.38010534 _cell_length_c 7.75908237 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTl2Fe _chemical_formula_sum 'Ca1 Tl2 Fe1' _cell_volume 88.64838594 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 0.00000000 0.00000000 3.87954119 1 Tl Tl2 1 1.69005267 1.69005267 5.44608207 1 Tl Tl3 1 1.69005267 1.69005267 2.31300030 1 [/CIF]
CaFeTl2
P4/mmm
123
tetragonal
4/mmm
9,453.717497
false
[CIF] data_BeCdGa4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43622360 _cell_length_b 5.43622360 _cell_length_c 5.43622360 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCdGa4 _chemical_formula_sum 'Be1 Cd1 Ga4' _cell_volume 113.59963512 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92199529 1.92199529 1.92199529 1 Ga Ga2 1 2.87888534 2.87888534 4.80909580 1 Ga Ga3 1 2.87888534 4.80909580 2.87888534 1 Ga Ga4 1 4.80909580 2.87888534 2.87888534 1 Ga Ga5 1 4.80909580 4.80909580 4.80909580 1 [/CIF]
BeCdGa4
F-43m
216
cubic
-43m
5,851.594487
false
[CIF] data_TlVBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40171862 _cell_length_b 3.40171862 _cell_length_c 8.75836135 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlVBi2 _chemical_formula_sum 'Tl1 V1 Bi2' _cell_volume 101.34903868 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70085931 1.70085931 8.22678102 1 Bi Bi1 1 0.00000000 0.00000000 2.27643203 1 Tl Tl2 1 1.70085931 1.70085931 4.83673332 1 V V3 1 0.00000000 0.00000000 6.55595700 1 [/CIF]
Bi2TlV
P4mm
99
tetragonal
4mm
11,031.353196
false
[CIF] data_ZnRu2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48966505 _cell_length_b 5.48966505 _cell_length_c 5.48966505 _cell_angle_alpha 150.00503641 _cell_angle_beta 132.48749361 _cell_angle_gamma 57.21428578 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnRu2Au _chemical_formula_sum 'Zn1 Ru2 Au1' _cell_volume 60.56458926 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.81950481 1 Ru Ru1 1 1.42059681 -0.00000000 2.13632050 1 Ru Ru2 1 -0.00000000 2.21149281 2.68318431 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuRu2Zn
Immm
71
orthorhombic
mmm
12,735.132909
false
[CIF] data_InTcSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80590834 _cell_length_b 4.66030605 _cell_length_c 5.40731600 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.67418762 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InTcSb2 _chemical_formula_sum 'In1 Tc1 Sb2' _cell_volume 90.85881999 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.18662053 2.33015302 4.03575494 1 Sb Sb1 1 1.80360296 0.00000000 4.59481919 1 Sb Sb2 1 1.74779876 2.33015302 1.72955409 1 Tc Tc3 1 -0.08133484 0.00000000 2.44648630 1 [/CIF]
InSb2Tc
Pm
6
monoclinic
m
8,356.611468
false
[CIF] data_MgAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84998980 _cell_length_b 5.93999998 _cell_length_c 5.93999998 _cell_angle_alpha 60.00000022 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _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 2.42499490 1.48500000 2.57209544 1 Al Al1 1 2.42499490 -0.00000000 5.14418631 1 Al Al2 1 2.42499490 -1.48500000 2.57209544 1 Al Al3 1 0.00000000 0.00000000 1.71472544 1 Mg Mg4 1 2.42499490 0.00000000 0.00000000 1 Mg Mg5 1 0.00000000 -0.00000000 6.85891631 1 Mg Mg6 1 0.00000000 1.48500000 4.28682631 1 Mg Mg7 1 0.00000000 -1.48500000 4.28682631 1 [/CIF]
Al4Mg4
Amm2
38
orthorhombic
mm2
2,298.625035
false
[CIF] data_CaScVPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09887264 _cell_length_b 5.09887264 _cell_length_c 5.09887264 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaScVPb _chemical_formula_sum 'Ca1 Sc1 V1 Pb1' _cell_volume 93.73623267 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 5.40817113 5.40817113 5.40817113 1 Sc Sc2 1 1.80272371 1.80272371 1.80272371 1 V V3 1 3.60544742 3.60544742 3.60544742 1 [/CIF]
CaPbScV
F-43m
216
cubic
-43m
6,079.358665
false
[CIF] data_MnAlGaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24660600 _cell_length_b 4.24660600 _cell_length_c 4.24660600 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAlGaPt _chemical_formula_sum 'Mn1 Al1 Ga1 Pt1' _cell_volume 54.15155216 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 3.00280390 3.00280390 3.00280390 1 Mn Mn2 1 1.50140195 1.50140195 1.50140195 1 Pt Pt3 1 4.50420585 4.50420585 4.50420585 1 [/CIF]
AlGaMnPt
F-43m
216
cubic
-43m
10,632.253639
false