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_MgCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55541888 _cell_length_b 3.55541888 _cell_length_c 13.01962574 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCl2 _chemical_formula_sum 'Mg2 Cl4' _cell_volume 142.53144247 _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 Cl Cl0 1 -0.00000000 2.05272205 11.30237616 1 Cl Cl1 1 1.77770944 1.02636102 4.79256329 1 Cl Cl2 1 1.77770944 1.02636102 1.71724958 1 Cl Cl3 1 -0.00000000 2.05272205 8.22706245 1 Mg Mg4 1 0.00000000 0.00000000 9.76471931 1 Mg Mg5 1 0.00000000 0.00000000 3.25490644 1 [/CIF]
Cl4Mg2
P6_3/mmc
194
hexagonal
6/mmm
2,218.48011
false
[CIF] data_Li2CuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91397032 _cell_length_b 2.91397032 _cell_length_c 5.73821550 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CuRh _chemical_formula_sum 'Li2 Cu1 Rh1' _cell_volume 48.72446758 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 1.45698516 1.45698516 1.46545296 1 Li Li2 1 1.45698516 1.45698516 4.27276254 1 Rh Rh3 1 0.00000000 0.00000000 2.86910775 1 [/CIF]
CuLi2Rh
P4/mmm
123
tetragonal
4/mmm
6,145.799772
false
[CIF] data_ZrScCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61842046 _cell_length_b 4.61842046 _cell_length_c 4.61842046 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrScCu2 _chemical_formula_sum 'Zr1 Sc1 Cu2' _cell_volume 69.65710301 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63285821 1.63285821 1.63285821 1 Cu Cu1 1 4.89857464 4.89857464 4.89857464 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.26571643 3.26571643 3.26571643 1 [/CIF]
Cu2ScZr
Fm-3m
225
cubic
m-3m
6,276.129908
false
[CIF] data_LiInCoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36077348 _cell_length_b 4.36077348 _cell_length_c 4.36077348 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiInCoIr _chemical_formula_sum 'Li1 In1 Co1 Ir1' _cell_volume 58.63751894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.62529875 4.62529875 4.62529875 1 In In1 1 3.08353250 3.08353250 3.08353250 1 Ir Ir2 1 1.54176625 1.54176625 1.54176625 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoInIrLi
F-43m
216
cubic
-43m
10,560.308447
false
[CIF] data_SrScIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68490310 _cell_length_b 3.68490310 _cell_length_c 8.08592366 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrScIn _chemical_formula_sum 'Sr1 Sc1 In1' _cell_volume 95.08508768 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84245157 1.06373989 0.16800722 1 Sc Sc1 1 0.00000000 0.00000000 2.39017049 1 Sr Sr2 1 0.00000002 2.12747978 5.52774595 1 [/CIF]
InScSr
P3m1
156
trigonal
3m
4,320.417275
false
[CIF] data_FeSn2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57929063 _cell_length_b 4.57929063 _cell_length_c 4.57929063 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSn2Mo _chemical_formula_sum 'Fe1 Sn2 Mo1' _cell_volume 67.90153991 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 3.23804746 3.23804746 3.23804746 1 Sn Sn2 1 4.85707118 4.85707118 4.85707118 1 Sn Sn3 1 1.61902373 1.61902373 1.61902373 1 [/CIF]
FeMoSn2
Fm-3m
225
cubic
m-3m
9,518.598475
false
[CIF] data_LiZrBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42421837 _cell_length_b 3.42421837 _cell_length_c 7.99077029 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZrBr2 _chemical_formula_sum 'Li1 Zr1 Br2' _cell_volume 93.69395071 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.49918969 1 Br Br1 1 1.71210919 1.71210919 3.03100825 1 Li Li2 1 0.00000000 0.00000000 3.62699953 1 Zr Zr3 1 1.71210919 1.71210919 5.81972834 1 [/CIF]
Br2LiZr
P4mm
99
tetragonal
4mm
4,572.058723
false
[CIF] data_Ba2YTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28571011 _cell_length_b 6.28571011 _cell_length_c 4.15431187 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 100.48147509 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2YTl _chemical_formula_sum 'Ba2 Y1 Tl1' _cell_volume 161.39865714 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01005470 2.41603353 2.07715594 1 Ba Ba1 1 2.01005470 -2.41603353 2.07715594 1 Tl Tl2 1 4.02010941 -0.00000000 0.00000000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2TlY
Cmmm
65
orthorhombic
mmm
5,843.245973
false
[CIF] data_TlMoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40381434 _cell_length_b 4.40381434 _cell_length_c 4.40381434 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlMoIr _chemical_formula_sum 'Tl1 Mo1 Ir1' _cell_volume 60.39096994 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.55698349 1.55698349 1.55698349 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 4.67095047 4.67095047 4.67095047 1 [/CIF]
IrMoTl
F-43m
216
cubic
-43m
13,543.674189
false
[CIF] data_LaIr2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14704053 _cell_length_b 5.14704053 _cell_length_c 5.14704053 _cell_angle_alpha 130.66192526 _cell_angle_beta 130.66192526 _cell_angle_gamma 72.35076220 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaIr2Au _chemical_formula_sum 'La1 Ir2 Au1' _cell_volume 76.69666942 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.15476322 1 Ir Ir1 1 0.00000000 2.14825147 2.07738161 1 Ir Ir2 1 2.14825147 -0.00000000 2.07738161 1 La La3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuIr2La
I4/mmm
139
tetragonal
4/mmm
15,595.153305
false
[CIF] data_Mn2IrSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76574531 _cell_length_b 2.76574531 _cell_length_c 8.90797155 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.82538872 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2IrSe _chemical_formula_sum 'Mn2 Ir1 Se1' _cell_volume 61.84343733 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.48958650 0.00000000 1.90692600 1 Mn Mn1 1 0.00000000 0.00000000 8.82354776 1 Mn Mn2 1 1.48958650 0.00000000 6.72606734 1 Se Se3 1 0.00000000 0.00000000 4.81338786 1 [/CIF]
IrMn2Se
Cmm2
35
orthorhombic
mm2
10,231.539023
false
[CIF] data_LiCdCoRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39750897 _cell_length_b 4.39750897 _cell_length_c 4.39750897 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCdCoRe _chemical_formula_sum 'Li1 Cd1 Co1 Re1' _cell_volume 60.13193826 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10950841 3.10950841 3.10950841 1 Co Co1 1 1.55475421 1.55475421 1.55475421 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 4.66426262 4.66426262 4.66426262 1 [/CIF]
CdCoLiRe
F-43m
216
cubic
-43m
10,065.425242
false
[CIF] data_TlRhSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.55361064 _cell_length_b 7.55361064 _cell_length_c 7.55361064 _cell_angle_alpha 29.61491824 _cell_angle_beta 29.61491824 _cell_angle_gamma 29.61491824 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlRhSe2 _chemical_formula_sum 'Tl1 Rh1 Se2' _cell_volume 93.17381034 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 -0.00000000 -0.00000000 0.00000000 1 Se Se1 1 0.00000000 0.00000000 5.99392905 1 Se Se2 1 0.00000000 -0.00000000 15.65767301 1 Tl Tl3 1 -0.00000000 -0.00000000 10.82580103 1 [/CIF]
RhSe2Tl
R-3m
166
trigonal
-3m
8,290.928359
false
[CIF] data_CaZr2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05614095 _cell_length_b 4.73306326 _cell_length_c 6.50946489 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZr2Mo _chemical_formula_sum 'Ca1 Zr2 Mo1' _cell_volume 94.15881368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.32543226 1 Mo Mo1 1 1.52807048 2.36653163 5.18863555 1 Zr Zr2 1 0.00000000 0.00000000 6.40041990 1 Zr Zr3 1 1.52807048 2.36653163 1.35917458 1 [/CIF]
CaMoZr2
Pmm2
25
orthorhombic
mm2
5,616.664277
false
[CIF] data_ZrSi2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04254556 _cell_length_b 3.04254556 _cell_length_c 6.89882494 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSi2Pd _chemical_formula_sum 'Zr1 Si2 Pd1' _cell_volume 63.86299842 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 0.00000000 0.00000000 3.44941247 1 Si Si1 1 1.52127278 1.52127278 4.97814040 1 Si Si2 1 1.52127278 1.52127278 1.92068454 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PdSi2Zr
P4/mmm
123
tetragonal
4/mmm
6,599.591839
false
[CIF] data_TcAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66589908 _cell_length_b 4.66589908 _cell_length_c 5.58722136 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcAu2 _chemical_formula_sum 'Tc2 Au4' _cell_volume 105.34094067 _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 Au Au0 1 0.00000000 0.00000000 2.79361068 1 Au Au1 1 0.00000000 0.00000000 0.00000000 1 Au Au2 1 -0.00000000 2.69385809 4.19041602 1 Au Au3 1 2.33294954 1.34692905 1.39680534 1 Tc Tc4 1 -0.00000000 2.69385809 1.39680534 1 Tc Tc5 1 2.33294954 1.34692905 4.19041602 1 [/CIF]
Au4Tc2
P6_3/mmc
194
hexagonal
6/mmm
15,537.718712
false
[CIF] data_Ba4BiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85818155 _cell_length_b 6.85818155 _cell_length_c 6.85818155 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4BiIr _chemical_formula_sum 'Ba4 Bi1 Ir1' _cell_volume 228.09298816 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.06574474 6.06574474 3.63318862 1 Ba Ba1 1 6.06574474 3.63318862 6.06574474 1 Ba Ba2 1 3.63318862 6.06574474 6.06574474 1 Ba Ba3 1 3.63318862 3.63318862 3.63318862 1 Bi Bi4 1 7.27420002 7.27420002 7.27420002 1 Ir Ir5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba4BiIr
F-43m
216
cubic
-43m
6,919.77146
false
[CIF] data_TlAsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82569971 _cell_length_b 5.82569971 _cell_length_c 5.82569971 _cell_angle_alpha 146.85486967 _cell_angle_beta 146.85486967 _cell_angle_gamma 47.57871950 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlAsW _chemical_formula_sum 'Tl1 As1 W1' _cell_volume 58.87495090 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.36135874 1 Tl Tl1 1 -0.00000000 0.00000000 3.52065025 1 W W2 1 -0.00000000 0.00000000 6.77942456 1 [/CIF]
AsTlW
I4mm
107
tetragonal
4mm
13,062.780853
false
[CIF] data_La2BeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03594569 _cell_length_b 5.03594569 _cell_length_c 5.03594569 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2BeAu _chemical_formula_sum 'La2 Be1 Au1' _cell_volume 90.30839351 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78047567 1.78047568 1.78047568 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 5.34142702 5.34142702 5.34142702 1 La La3 1 3.56095135 3.56095135 3.56095135 1 [/CIF]
AuBeLa2
F-43m
216
cubic
-43m
8,895.64802
false
[CIF] data_Sc2MnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20576900 _cell_length_b 3.20576900 _cell_length_c 6.44960637 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.69492896 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2MnPt _chemical_formula_sum 'Sc2 Mn1 Pt1' _cell_volume 66.25331387 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.00000000 0.00000000 3.22480319 1 Sc Sc2 1 2.23304561 0.00000000 4.92411825 1 Sc Sc3 1 2.23304561 0.00000000 1.52548812 1 [/CIF]
MnPtSc2
Cmmm
65
orthorhombic
mmm
8,519.928085
false
[CIF] data_NbCdIrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53254430 _cell_length_b 4.53254430 _cell_length_c 4.53254430 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCdIrOs _chemical_formula_sum 'Nb1 Cd1 Ir1 Os1' _cell_volume 65.84323712 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.20499281 3.20499281 3.20499281 1 Ir Ir1 1 1.60249640 1.60249640 1.60249641 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 4.80748921 4.80748921 4.80748921 1 [/CIF]
CdIrNbOs
F-43m
216
cubic
-43m
14,823.173308
false
[CIF] data_ReSiOs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70993604 _cell_length_b 4.70993604 _cell_length_c 4.70993604 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSiOs3 _chemical_formula_sum 'Re1 Si1 Os3' _cell_volume 104.48285437 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 2.35496802 2.35496802 2.35496802 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 2.35496802 0.00000000 2.35496802 1 Os Os3 1 2.35496802 2.35496802 0.00000000 1 Os Os4 1 0.00000000 2.35496802 2.35496802 1 [/CIF]
Os3ReSi
Pm-3m
221
cubic
m-3m
12,475.674748
false
[CIF] data_ZnCr4Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75159131 _cell_length_b 4.75159131 _cell_length_c 4.75159131 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCr4Si _chemical_formula_sum 'Zn1 Cr4 Si1' _cell_volume 75.85814905 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.52618211 2.52618211 4.19358277 1 Cr Cr1 1 2.52618211 4.19358277 2.52618211 1 Cr Cr2 1 4.19358277 2.52618211 2.52618211 1 Cr Cr3 1 4.19358277 4.19358277 4.19358277 1 Si Si4 1 0.00000000 0.00000000 0.00000000 1 Zn Zn5 1 1.67994122 1.67994122 1.67994122 1 [/CIF]
Cr4SiZn
F-43m
216
cubic
-43m
6,598.754938
false
[CIF] data_PmEr2Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40565007 _cell_length_b 5.40565007 _cell_length_c 5.40565007 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PmEr2Ti _chemical_formula_sum 'Pm1 Er2 Ti1' _cell_volume 111.69372859 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Er Er0 1 1.91118591 1.91118591 1.91118591 1 Er Er1 1 5.73355774 5.73355774 5.73355774 1 Pm Pm2 1 3.82237182 3.82237182 3.82237182 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Er2PmTi
Fm-3m
225
cubic
m-3m
7,840.57804
false
[CIF] data_Na2YTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08034544 _cell_length_b 5.08034544 _cell_length_c 5.08034544 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2YTc _chemical_formula_sum 'Na2 Y1 Tc1' _cell_volume 92.71814445 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 1.79617336 1.79617336 1.79617336 1 Na Na1 1 5.38852007 5.38852007 5.38852006 1 Tc Tc2 1 3.59234671 3.59234671 3.59234671 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Na2TcY
Fm-3m
225
cubic
m-3m
4,187.099176
false
[CIF] data_AgMoIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72651854 _cell_length_b 2.72651854 _cell_length_c 9.67683776 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.12116842 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgMoIr2 _chemical_formula_sum 'Ag1 Mo1 Ir2' _cell_volume 63.44475254 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40178886 0.00000000 2.40754343 1 Ir Ir1 1 0.00000000 0.00000000 9.59426492 1 Ir Ir2 1 1.40178886 0.00000000 7.22544171 1 Mo Mo3 1 0.00000000 0.00000000 4.96484435 1 [/CIF]
AgIr2Mo
Cmm2
35
orthorhombic
mm2
15,396.582466
false
[CIF] data_Sm(NiSb)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14116909 _cell_length_b 6.14116909 _cell_length_c 6.14116909 _cell_angle_alpha 138.72910697 _cell_angle_beta 138.72910697 _cell_angle_gamma 59.78815233 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm(NiSb)2 _chemical_formula_sum 'Sm1 Ni2 Sb2' _cell_volume 99.75372529 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 2.16427500 -0.00000000 2.66203800 1 Ni Ni1 1 -0.00000000 2.16427500 2.66203800 1 Sb Sb2 1 -0.00000000 0.00000000 6.75541593 1 Sb Sb3 1 0.00000000 -0.00000000 3.89273607 1 Sm Sm4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ni2Sb2Sm
I4/mmm
139
tetragonal
4/mmm
8,510.744761
false
[CIF] data_TlSbAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03556403 _cell_length_b 5.03556403 _cell_length_c 5.03556403 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSbAs _chemical_formula_sum 'Tl1 Sb1 As1' _cell_volume 90.28786199 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 1.78034074 1.78034074 1.78034074 1 Tl Tl2 1 5.34102221 5.34102221 5.34102221 1 [/CIF]
AsSbTl
F-43m
216
cubic
-43m
7,376.228875
false
[CIF] data_SrMnO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34648200 _cell_length_b 4.34648200 _cell_length_c 4.34648200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMnO3 _chemical_formula_sum 'Sr1 Mn1 O3' _cell_volume 82.11332840 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 O O1 1 2.17324100 2.17324100 0.00000000 1 O O2 1 0.00000000 2.17324100 2.17324100 1 O O3 1 2.17324100 0.00000000 2.17324100 1 Sr Sr4 1 2.17324100 2.17324100 2.17324100 1 [/CIF]
MnO3Sr
Pm-3m
221
cubic
m-3m
3,853.528963
false
[CIF] data_NaHf2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71984127 _cell_length_b 4.71984127 _cell_length_c 4.71984127 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHf2B _chemical_formula_sum 'Na1 Hf2 B1' _cell_volume 74.34763927 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.33743177 3.33743177 3.33743177 1 Hf Hf2 1 5.00614766 5.00614766 5.00614766 1 Na Na3 1 1.66871588 1.66871588 1.66871588 1 [/CIF]
BHf2Na
F-43m
216
cubic
-43m
8,728.007241
false
[CIF] data_GaBi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32949392 _cell_length_b 6.32949392 _cell_length_c 4.94509963 _cell_angle_alpha 112.60655501 _cell_angle_beta 112.60655501 _cell_angle_gamma 33.11854982 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaBi2P _chemical_formula_sum 'Ga1 Bi2 P1' _cell_volume 99.15802365 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.39559693 0.00000000 0.20078119 1 Bi Bi1 1 1.44612529 0.00000000 3.40426037 1 Ga Ga2 1 4.49605960 0.00000000 2.01940999 1 P P3 1 8.88843312 -0.00000000 1.17058503 1 [/CIF]
Bi2GaP
Cm
8
monoclinic
m
8,685.642494
false
[CIF] data_NiPtRhPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51470680 _cell_length_b 4.51470680 _cell_length_c 4.51470680 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiPtRhPb _chemical_formula_sum 'Ni1 Pt1 Rh1 Pb1' _cell_volume 65.06892831 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 4.78856969 4.78856969 4.78856969 1 Pt Pt2 1 3.19237979 3.19237979 3.19237979 1 Rh Rh3 1 1.59618990 1.59618990 1.59618990 1 [/CIF]
NiPbPtRh
F-43m
216
cubic
-43m
14,390.118429
false
[CIF] data_La3Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.37132445 _cell_length_b 7.37132445 _cell_length_c 4.66695524 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.62208673 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3Pd _chemical_formula_sum 'La6 Pd2' _cell_volume 242.98891676 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 4.40414964 4.71686922 1.16673881 1 La La1 1 6.16407941 1.49915301 1.16673881 1 La La2 1 2.64421986 1.49915301 1.16673881 1 La La3 1 4.40414964 -4.71686922 3.50021643 1 La La4 1 2.64421986 -1.49915301 3.50021643 1 La La5 1 6.16407941 -1.49915301 3.50021643 1 Pd Pd6 1 4.40414964 -2.30121228 1.16673881 1 Pd Pd7 1 4.40414964 2.30121228 3.50021643 1 [/CIF]
La6Pd2
Cmcm
63
orthorhombic
mmm
7,150.025257
false
[CIF] data_ZrCrGaMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53814681 _cell_length_b 4.53814681 _cell_length_c 4.53814681 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCrGaMo _chemical_formula_sum 'Zr1 Cr1 Ga1 Mo1' _cell_volume 66.08769802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 4.81343157 4.81343157 4.81343157 1 Mo Mo2 1 3.20895438 3.20895438 3.20895438 1 Zr Zr3 1 1.60447719 1.60447719 1.60447719 1 [/CIF]
CrGaMoZr
F-43m
216
cubic
-43m
7,761.590746
false
[CIF] data_SrHfMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38757224 _cell_length_b 3.38757224 _cell_length_c 9.53881752 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHfMg2 _chemical_formula_sum 'Sr1 Hf1 Mg2' _cell_volume 109.46409008 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69378612 1.69378612 7.55406708 1 Mg Mg1 1 0.00000000 0.00000000 9.51118414 1 Mg Mg2 1 1.69378612 1.69378612 1.97409186 1 Sr Sr3 1 0.00000000 0.00000000 4.80770063 1 [/CIF]
HfMg2Sr
P4mm
99
tetragonal
4mm
4,774.212755
false
[CIF] data_La2ScTa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22732661 _cell_length_b 3.22732661 _cell_length_c 10.58684450 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2ScTa _chemical_formula_sum 'La2 Sc1 Ta1' _cell_volume 110.26872979 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.17745281 1 La La1 1 1.61366330 1.61366330 2.82640545 1 Sc Sc2 1 0.00000000 0.00000000 5.74165887 1 Ta Ta3 1 1.61366330 1.61366330 7.72159412 1 [/CIF]
La2ScTa
P4mm
99
tetragonal
4mm
7,585.450494
false
[CIF] data_SrLiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80248298 _cell_length_b 3.80248298 _cell_length_c 3.80248298 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLiO3 _chemical_formula_sum 'Sr1 Li1 O3' _cell_volume 54.97963299 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 O O1 1 0.00000000 0.00000000 1.90124149 1 O O2 1 0.00000000 1.90124149 0.00000000 1 O O3 1 1.90124149 0.00000000 0.00000000 1 Sr Sr4 1 1.90124149 1.90124149 1.90124149 1 [/CIF]
LiO3Sr
Pm-3m
221
cubic
m-3m
4,305.687543
false
[CIF] data_LiCuB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94943909 _cell_length_b 3.94943909 _cell_length_c 2.33913558 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.46137821 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCuB2 _chemical_formula_sum 'Li1 Cu1 B2' _cell_volume 32.94230603 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.05430184 1.66972002 1.16956779 1 B B1 1 1.05430184 -1.66972002 1.16956779 1 Cu Cu2 1 2.10860367 -0.00000000 0.00000000 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2CuLi
Cmmm
65
orthorhombic
mmm
4,642.983789
false
[CIF] data_AsPt2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46557116 _cell_length_b 4.46557116 _cell_length_c 4.46557116 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsPt2Rh _chemical_formula_sum 'As1 Pt2 Rh1' _cell_volume 62.96744124 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 1.57881783 1.57881783 1.57881783 1 Pt Pt2 1 4.73645348 4.73645348 4.73645348 1 Rh Rh3 1 3.15763565 3.15763565 3.15763565 1 [/CIF]
AsPt2Rh
Fm-3m
225
cubic
m-3m
14,978.821349
false
[CIF] data_SrAgOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76746709 _cell_length_b 2.76746709 _cell_length_c 9.54787159 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAgOs2 _chemical_formula_sum 'Sr1 Ag1 Os2' _cell_volume 73.12594614 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 4.77393579 1 Os Os1 1 1.38373354 1.38373354 6.96632513 1 Os Os2 1 1.38373354 1.38373354 2.58154646 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgOs2Sr
P4/mmm
123
tetragonal
4/mmm
13,078.700134
false
[CIF] data_HfAg2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80652233 _cell_length_b 2.80652233 _cell_length_c 9.07048425 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.45235863 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAg2Mo _chemical_formula_sum 'Hf1 Ag2 Mo1' _cell_volume 71.31462650 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92383107 0.00000000 2.21105925 1 Ag Ag1 1 1.92383107 0.00000000 6.85942500 1 Hf Hf2 1 0.00000000 0.00000000 4.53524212 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2HfMo
Cmmm
65
orthorhombic
mmm
11,413.839027
false
[CIF] data_CsLi2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94968959 _cell_length_b 4.94968959 _cell_length_c 4.94968959 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsLi2Os _chemical_formula_sum 'Cs1 Li2 Os1' _cell_volume 85.74699175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 0.00000000 0.00000000 0.00000000 1 Li Li1 1 5.24993861 5.24993861 5.24993861 1 Li Li2 1 1.74997954 1.74997954 1.74997954 1 Os Os3 1 3.49995907 3.49995907 3.49995907 1 [/CIF]
CsLi2Os
Fm-3m
225
cubic
m-3m
6,526.533859
false
[CIF] data_Re2RuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80297176 _cell_length_b 4.80297176 _cell_length_c 4.80297176 _cell_angle_alpha 131.82736420 _cell_angle_beta 131.82736420 _cell_angle_gamma 70.50182339 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2RuW _chemical_formula_sum 'Re2 Ru1 W1' _cell_volume 60.28043868 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 -0.00000000 3.92226222 1 Re Re1 1 0.00000000 1.96015265 1.96113111 1 Ru Ru2 1 -0.00000000 0.00000000 -0.00000000 1 W W3 1 1.96015265 0.00000000 1.96113111 1 [/CIF]
Re2RuW
I-4m2
119
tetragonal
-42m
18,107.236863
false
[CIF] data_NaScZnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67381569 _cell_length_b 4.67381569 _cell_length_c 4.67381569 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaScZnRh _chemical_formula_sum 'Na1 Sc1 Zn1 Rh1' _cell_volume 72.19377462 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 4.95733016 4.95733016 4.95733016 1 Sc Sc2 1 3.30488677 3.30488677 3.30488677 1 Zn Zn3 1 1.65244338 1.65244339 1.65244338 1 [/CIF]
NaRhScZn
F-43m
216
cubic
-43m
5,433.586308
false
[CIF] data_MgTc2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71783809 _cell_length_b 4.28956414 _cell_length_c 5.23663044 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.65321596 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTc2Rh _chemical_formula_sum 'Mg1 Tc2 Rh1' _cell_volume 60.18599213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.93264490 0.00000000 2.61383071 1 Rh Rh1 1 0.04078261 2.14478207 3.83961276 1 Tc Tc2 1 2.52414175 0.00000000 0.06828825 1 Tc Tc3 1 1.97987360 2.14478207 1.22199356 1 [/CIF]
MgRhTc2
Pm
6
monoclinic
m
8,967.422549
false
[CIF] data_LiAlVPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28620428 _cell_length_b 4.28620428 _cell_length_c 4.28620428 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAlVPt _chemical_formula_sum 'Li1 Al1 V1 Pt1' _cell_volume 55.68056048 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.54620617 4.54620617 4.54620617 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.51540206 1.51540206 1.51540206 1 V V3 1 3.03080411 3.03080411 3.03080411 1 [/CIF]
AlLiPtV
F-43m
216
cubic
-43m
8,348.778294
false
[CIF] data_LiMgGaCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34790951 _cell_length_b 4.34790951 _cell_length_c 4.34790951 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgGaCo _chemical_formula_sum 'Li1 Mg1 Ga1 Co1' _cell_volume 58.12011880 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.61165445 4.61165445 4.61165445 1 Ga Ga1 1 1.53721815 1.53721815 1.53721815 1 Li Li2 1 -0.00000000 -0.00000000 0.00000000 1 Mg Mg3 1 3.07443630 3.07443630 3.07443630 1 [/CIF]
CoGaLiMg
F-43m
216
cubic
-43m
4,568.535769
false
[CIF] data_ScCuBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45513812 _cell_length_b 3.45513812 _cell_length_c 7.90091922 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCuBr2 _chemical_formula_sum 'Sc1 Cu1 Br2' _cell_volume 94.32101111 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72756906 1.72756906 7.36691308 1 Br Br1 1 0.00000000 0.00000000 2.79682972 1 Cu Cu2 1 1.72756906 1.72756906 4.04945505 1 Sc Sc3 1 0.00000000 0.00000000 5.53910020 1 [/CIF]
Br2CuSc
P4mm
99
tetragonal
4mm
4,723.646254
false
[CIF] data_ScNbRe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75799466 _cell_length_b 4.75799466 _cell_length_c 4.75799466 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNbRe3 _chemical_formula_sum 'Sc1 Nb1 Re3' _cell_volume 107.71392484 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 2.37899733 0.00000000 2.37899733 1 Re Re2 1 2.37899733 2.37899733 0.00000000 1 Re Re3 1 0.00000000 2.37899733 2.37899733 1 Nb Nb4 1 2.37899733 2.37899733 2.37899733 1 [/CIF]
NbRe3Sc
Pm-3m
221
cubic
m-3m
10,737.123518
false
[CIF] data_NaZr2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26396421 _cell_length_b 3.26396421 _cell_length_c 8.26552898 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZr2Ni _chemical_formula_sum 'Na1 Zr2 Ni1' _cell_volume 88.05650191 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.48877570 1 Ni Ni1 1 1.63198211 1.63198211 6.60447431 1 Zr Zr2 1 0.00000000 0.00000000 7.88134339 1 Zr Zr3 1 1.63198211 1.63198211 1.68922905 1 [/CIF]
NaNiZr2
P4mm
99
tetragonal
4mm
4,980.894812
false
[CIF] data_SiAgMo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23302398 _cell_length_b 5.23302398 _cell_length_c 5.23302398 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAgMo4 _chemical_formula_sum 'Si1 Ag1 Mo4' _cell_volume 101.33119771 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.85015337 1.85015337 1.85015337 1 Mo Mo1 1 2.78357780 2.78357780 4.61703568 1 Mo Mo2 1 2.78357780 4.61703568 2.78357780 1 Mo Mo3 1 4.61703568 2.78357780 2.78357780 1 Mo Mo4 1 4.61703568 4.61703568 4.61703568 1 Si Si5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgMo4Si
F-43m
216
cubic
-43m
8,517.986217
false
[CIF] data_KMgB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80536234 _cell_length_b 4.80536234 _cell_length_c 2.89451708 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMgB2 _chemical_formula_sum 'K1 Mg1 B2' _cell_volume 66.83876205 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.40268117 1.44725854 1 B B1 1 2.40268117 0.00000000 1.44725854 1 K K2 1 2.40268117 2.40268117 0.00000000 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2KMg
P4/mmm
123
tetragonal
4/mmm
2,112.371023
false
[CIF] data_YbGaAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84238037 _cell_length_b 4.84238037 _cell_length_c 4.84238037 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbGaAu2 _chemical_formula_sum 'Yb1 Ga1 Au2' _cell_volume 80.29004559 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.42408000 3.42408000 3.42408000 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Au Au2 1 5.13612000 5.13612000 5.13612000 1 Au Au3 1 1.71204000 1.71204000 1.71204000 1 [/CIF]
Au2GaYb
Fm-3m
225
cubic
m-3m
13,168.283197
false
[CIF] data_Mg(ZnSe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.12262850 _cell_length_b 6.12262850 _cell_length_c 7.61492757 _cell_angle_alpha 105.09630547 _cell_angle_beta 105.09630547 _cell_angle_gamma 53.33812211 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg(ZnSe)2 _chemical_formula_sum 'Mg2 Zn4 Se4' _cell_volume 219.04531740 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 3.80674753 1.69064269 5.46325314 1 Mg Mg1 1 4.91642640 -1.69064269 1.82108438 1 Se Se2 1 1.57187280 0.03523290 0.59274628 1 Se Se3 1 8.26098001 0.03523290 3.04942248 1 Se Se4 1 7.15130114 -0.03523290 6.69159124 1 Se Se5 1 0.46219393 -0.03523290 4.23491505 1 Zn Zn6 1 2.60406804 -0.91586969 5.09545390 1 Zn Zn7 1 5.00942702 -0.91586969 5.83105238 1 Zn Zn8 1 6.11910589 0.91586969 2.18888362 1 Zn Zn9 1 3.71374691 0.91586969 1.45328514 1 [/CIF]
Mg2Se4Zn4
C2/c
15
monoclinic
2/m
4,745.354303
false
[CIF] data_Li4Cr3CoO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10333800 _cell_length_b 5.85724745 _cell_length_c 10.15010654 _cell_angle_alpha 90.13544356 _cell_angle_beta 99.50102000 _cell_angle_gamma 106.68223393 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Cr3CoO8 _chemical_formula_sum 'Li8 Cr6 Co2 O16' _cell_volume 286.24795985 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 3.40668903 4.05747603 2.50359519 1 Li Li1 1 -2.51644016 3.80103441 7.52464139 1 Li Li2 1 -0.84070100 2.80536250 0.00000000 1 Li Li3 1 -1.67841550 2.54179500 4.99849300 1 Li Li4 1 4.26294716 1.28255559 2.47234461 1 Li Li5 1 -1.66018203 1.02611397 7.49339081 1 Li Li6 1 0.00000000 0.00000000 0.00000000 1 Li Li7 1 -0.83771450 -0.26356750 4.99849300 1 Cr Cr8 1 0.87839472 3.30262127 3.72873582 1 Cr Cr9 1 0.86811228 1.78096873 6.26825018 1 Cr Cr10 1 0.86899162 0.25170281 8.77019587 1 Cr Cr11 1 1.71360019 0.50926210 3.72667644 1 Cr Cr12 1 0.87751538 4.83188719 1.22679013 1 Cr Cr13 1 0.03290681 4.57432790 6.27030956 1 Co Co14 1 0.03420475 3.04180535 8.76410770 1 Co Co15 1 1.71230225 2.04178465 1.23287830 1 O O16 1 0.15111740 3.06581240 1.86646728 1 O O17 1 -0.71144781 2.82669546 6.94648570 1 O O18 1 2.44017921 3.74442164 0.57431685 1 O O19 1 1.62682243 3.52790141 5.60279081 1 O O20 1 -0.69367221 1.33916836 9.42266915 1 O O21 1 1.59538960 2.01777760 8.13051872 1 O O22 1 0.11968457 1.55568859 4.39419519 1 O O23 1 2.45795481 2.25689454 3.05050030 1 O O24 1 0.97213861 0.31155881 1.85761994 1 O O25 1 3.27501687 1.00883343 0.62072286 1 O O26 1 0.11780985 0.02190497 6.90871708 1 O O27 1 2.46260517 0.72689587 5.60698954 1 O O28 1 -1.52850987 4.07475657 9.37626314 1 O O29 1 0.77436839 4.77203119 8.13936606 1 O O30 1 -0.71609817 4.35669413 4.38999646 1 O O31 1 1.62869715 5.06168503 3.08826892 1 [/CIF]
Co2Cr6Li8O16
P-1
2
triclinic
-1
4,300.67537
false
[CIF] data_GaBPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81524166 _cell_length_b 3.81524166 _cell_length_c 3.81524166 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaBPd _chemical_formula_sum 'Ga1 B1 Pd1' _cell_volume 39.26911894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 4.04667487 4.04667487 4.04667487 1 Pd Pd2 1 1.34889163 1.34889163 1.34889162 1 [/CIF]
BGaPd
F-43m
216
cubic
-43m
7,905.561139
false
[CIF] data_LaHfMnTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09751096 _cell_length_b 5.09751096 _cell_length_c 5.09751096 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHfMnTl _chemical_formula_sum 'La1 Hf1 Mn1 Tl1' _cell_volume 93.66115475 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80224228 1.80224229 1.80224229 1 La La1 1 3.60448457 3.60448457 3.60448457 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 5.40672686 5.40672686 5.40672686 1 [/CIF]
HfLaMnTl
F-43m
216
cubic
-43m
10,224.738359
false
[CIF] data_LiZrGaW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66507391 _cell_length_b 4.66507391 _cell_length_c 4.66507391 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZrGaW _chemical_formula_sum 'Li1 Zr1 Ga1 W1' _cell_volume 71.78944402 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64935270 1.64935270 1.64935270 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 4.94805810 4.94805810 4.94805810 1 Zr Zr3 1 3.29870540 3.29870540 3.29870540 1 [/CIF]
GaLiWZr
F-43m
216
cubic
-43m
8,135.709822
false
[CIF] data_KLiZrSc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32058136 _cell_length_b 5.32058136 _cell_length_c 5.32058136 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiZrSc _chemical_formula_sum 'K1 Li1 Zr1 Sc1' _cell_volume 106.50310470 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 3.76221916 3.76221916 3.76221916 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 5.64332874 5.64332874 5.64332874 1 Zr Zr3 1 1.88110958 1.88110958 1.88110958 1 [/CIF]
KLiScZr
F-43m
216
cubic
-43m
2,841.063846
false
[CIF] data_TiAlCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15420465 _cell_length_b 4.15420465 _cell_length_c 3.30526188 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAlCu2 _chemical_formula_sum 'Ti1 Al1 Cu2' _cell_volume 57.04028003 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 2.07710232 1.65263094 1 Cu Cu2 1 2.07710232 0.00000000 1.65263094 1 Ti Ti3 1 2.07710232 2.07710232 0.00000000 1 [/CIF]
AlCu2Ti
P4/mmm
123
tetragonal
4/mmm
5,878.896497
false
[CIF] data_NaTi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85512563 _cell_length_b 2.85512563 _cell_length_c 9.96276611 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTi3 _chemical_formula_sum 'Na1 Ti3' _cell_volume 81.21390255 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 1.42756281 1.42756281 2.99487125 1 Ti Ti2 1 0.00000000 0.00000000 4.98138306 1 Ti Ti3 1 1.42756281 1.42756281 6.96789486 1 [/CIF]
NaTi3
P4/mmm
123
tetragonal
4/mmm
3,406.196129
false
[CIF] data_AgB2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86463737 _cell_length_b 2.86463737 _cell_length_c 5.50306379 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgB2Ru _chemical_formula_sum 'Ag1 B2 Ru1' _cell_volume 45.15895169 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.43231868 1.43231868 4.42736115 1 B B1 1 0.00000000 0.00000000 0.21575967 1 B B2 1 1.43231868 1.43231868 1.39616971 1 Ru Ru3 1 0.00000000 0.00000000 2.21530516 1 [/CIF]
AgB2Ru
P4mm
99
tetragonal
4mm
8,477.926405
false
[CIF] data_ZrNbV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.18919328 _cell_length_b 6.96482140 _cell_length_c 2.93678046 _cell_angle_alpha 82.34555058 _cell_angle_beta 73.77213686 _cell_angle_gamma 23.88231257 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNbV _chemical_formula_sum 'Zr1 Nb1 V1' _cell_volume 54.25782887 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65059331 2.42903709 0.19938169 1 V V1 1 1.65059331 2.42903709 8.91194560 1 Zr Zr2 1 1.65059331 2.42903709 4.42148895 1 [/CIF]
NbVZr
Fmm2
42
orthorhombic
mm2
7,194.2805
false
[CIF] data_Zr5Cu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.82069244 _cell_length_b 9.82069244 _cell_length_c 9.82069244 _cell_angle_alpha 160.53704905 _cell_angle_beta 152.33955010 _cell_angle_gamma 34.04773237 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Cu3 _chemical_formula_sum 'Zr5 Cu3' _cell_volume 146.37747200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66000000 -0.00000000 7.04278354 1 Cu Cu1 1 -0.00000000 2.34759451 2.34759451 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 -0.00000000 9.39037805 1 Zr Zr4 1 0.00000000 -0.00000000 14.08556708 1 Zr Zr5 1 0.00000000 2.34759451 7.04278354 1 Zr Zr6 1 1.66000000 0.00000000 2.34759451 1 Zr Zr7 1 0.00000000 0.00000000 4.69518903 1 [/CIF]
Cu3Zr5
Immm
71
orthorhombic
mmm
7,336.968667
false
[CIF] data_Cd8Au5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.79243723 _cell_length_b 8.79243723 _cell_length_c 8.79243723 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd8Au5 _chemical_formula_sum 'Cd16 Au10' _cell_volume 523.24602581 _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 Cd Cd0 1 -1.10983497 1.10983497 1.10983497 1 Cd Cd1 1 1.10983497 -1.10983497 1.10983497 1 Cd Cd2 1 1.10983497 1.10983497 -1.10983497 1 Cd Cd3 1 3.96648103 3.96648103 3.96648103 1 Cd Cd4 1 1.89404457 -1.89404457 5.44960797 1 Cd Cd5 1 -0.37329197 3.18227143 3.18227143 1 Cd Cd6 1 1.89404457 5.44960797 -1.89404457 1 Cd Cd7 1 -1.89404457 1.89404457 5.44960797 1 Cd Cd8 1 5.44960797 1.89404457 -1.89404457 1 Cd Cd9 1 3.18227143 -0.37329197 3.18227143 1 Cd Cd10 1 3.18227143 3.18227143 -0.37329197 1 Cd Cd11 1 5.44960797 -1.89404457 1.89404457 1 Cd Cd12 1 -1.89404457 5.44960797 1.89404457 1 Cd Cd13 1 1.89404457 1.89404457 4.70302403 1 Cd Cd14 1 4.70302403 1.89404457 1.89404457 1 Cd Cd15 1 1.89404457 4.70302403 1.89404457 1 Au Au16 1 -3.31817964 3.31817964 3.31817964 1 Au Au17 1 3.31817964 -3.31817964 3.31817964 1 Au Au18 1 3.31817964 3.31817964 -3.31817964 1 Au Au19 1 1.75813636 1.75813636 1.75813636 1 Au Au20 1 6.51723845 0.00000000 -0.00000000 1 Au Au21 1 0.00000000 3.63539355 -0.00000000 1 Au Au22 1 0.00000000 -0.00000000 3.63539355 1 Au Au23 1 3.63539355 0.00000000 -0.00000000 1 Au Au24 1 0.00000000 6.51723845 -0.00000000 1 Au Au25 1 0.00000000 -0.00000000 6.51723845 1 [/CIF]
Au10Cd16
I-43m
217
cubic
-43m
11,958.643219
false
[CIF] data_Ba2ZnTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14633602 _cell_length_b 6.14633602 _cell_length_c 6.14633602 _cell_angle_alpha 125.72325630 _cell_angle_beta 125.72325630 _cell_angle_gamma 80.34346471 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2ZnTe _chemical_formula_sum 'Ba2 Zn1 Te1' _cell_volume 147.66088651 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.80359582 0.00000000 2.34825187 1 Ba Ba1 1 -0.00000000 2.80359582 2.34825187 1 Te Te2 1 0.00000000 0.00000000 4.69650374 1 Zn Zn3 1 -0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2TeZn
I4/mmm
139
tetragonal
4/mmm
5,258.836949
false
[CIF] data_BaCa2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09724728 _cell_length_b 4.09724728 _cell_length_c 9.72103721 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCa2Tl _chemical_formula_sum 'Ba1 Ca2 Tl1' _cell_volume 163.19128295 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 6.84566367 1 Ca Ca1 1 2.04862364 2.04862364 0.26153138 1 Ca Ca2 1 0.00000000 0.00000000 2.92153117 1 Tl Tl3 1 2.04862364 2.04862364 4.55282970 1 [/CIF]
BaCa2Tl
P4mm
99
tetragonal
4mm
4,292.664776
false
[CIF] data_Mo2WAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71003236 _cell_length_b 4.48293006 _cell_length_c 5.57225326 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.29501464 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo2WAu _chemical_formula_sum 'Mo2 W1 Au1' _cell_volume 65.88232079 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.15061535 2.24146503 4.08468213 1 Mo Mo1 1 2.59972993 0.00000000 0.05444911 1 Mo Mo2 1 1.66403986 2.24146503 1.37967876 1 W W3 1 0.73979111 0.00000000 2.61555604 1 [/CIF]
AuMo2W
Pm
6
monoclinic
m
14,435.35733
false
[CIF] data_AlGa2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94672149 _cell_length_b 2.94672149 _cell_length_c 8.10677696 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlGa2Ag _chemical_formula_sum 'Al1 Ga2 Ag1' _cell_volume 70.39250255 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 4.05338848 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 Ga Ga2 1 1.47336074 1.47336074 1.98804591 1 Ga Ga3 1 1.47336074 1.47336074 6.11873105 1 [/CIF]
AgAlGa2
P4/mmm
123
tetragonal
4/mmm
6,470.558273
false
[CIF] data_KCaBePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01185846 _cell_length_b 5.01185846 _cell_length_c 5.01185846 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCaBePd _chemical_formula_sum 'K1 Ca1 Be1 Pd1' _cell_volume 89.01872991 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 3.54391910 3.54391910 3.54391910 1 K K2 1 1.77195955 1.77195955 1.77195955 1 Pd Pd3 1 5.31587865 5.31587865 5.31587865 1 [/CIF]
BeCaKPd
F-43m
216
cubic
-43m
3,630.190943
false
[CIF] data_FeB2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87239854 _cell_length_b 5.87239854 _cell_length_c 5.87239854 _cell_angle_alpha 30.01154430 _cell_angle_beta 30.01154430 _cell_angle_gamma 30.01154430 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeB2As _chemical_formula_sum 'Fe1 B2 As1' _cell_volume 44.87700820 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.02471524 1 B B1 1 -0.00000000 -0.00000000 1.10210640 1 B B2 1 0.00000000 -0.00000000 12.29461915 1 Fe Fe3 1 -0.00000000 -0.00000000 7.79569615 1 [/CIF]
AsB2Fe
R3m
160
trigonal
3m
5,638.683008
false
[CIF] data_K2LiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20307928 _cell_length_b 4.65892844 _cell_length_c 8.38256363 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2LiHg _chemical_formula_sum 'K2 Li1 Hg1' _cell_volume 164.14606668 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 4.19128182 1 K K1 1 2.10153964 2.32946422 6.15937447 1 K K2 1 2.10153964 2.32946422 2.22318916 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgK2Li
Pmmm
47
orthorhombic
mmm
2,890.485601
false
[CIF] data_VCu2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.64167679 _cell_length_b 3.62791294 _cell_length_c 5.83412260 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCu2Ag _chemical_formula_sum 'V1 Cu2 Ag1' _cell_volume 55.91290896 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.91706130 1 Cu Cu1 1 1.32083839 1.81395647 4.51196200 1 Cu Cu2 1 1.32083839 1.81395647 1.32216060 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCu2V
Pmmm
47
orthorhombic
mmm
8,491.138445
false
[CIF] data_NbFePb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90549642 _cell_length_b 4.90549642 _cell_length_c 3.42596017 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbFePb2 _chemical_formula_sum 'Nb1 Fe1 Pb2' _cell_volume 82.44194614 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 2.45274821 2.45274821 0.00000000 1 Pb Pb2 1 2.45274821 0.00000000 1.71298009 1 Pb Pb3 1 0.00000000 2.45274821 1.71298009 1 [/CIF]
FeNbPb2
P4/mmm
123
tetragonal
4/mmm
11,343.429946
false
[CIF] data_CaGeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84382468 _cell_length_b 4.84382468 _cell_length_c 4.84382468 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGeAs _chemical_formula_sum 'Ca1 Ge1 As1' _cell_volume 80.36190993 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71255064 1.71255064 1.71255064 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Ge Ge2 1 3.42510128 3.42510128 3.42510128 1 [/CIF]
AsCaGe
F-43m
216
cubic
-43m
3,877.245906
false
[CIF] data_V2PtPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19862405 _cell_length_b 3.19862405 _cell_length_c 6.82775198 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.45236199 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2PtPb _chemical_formula_sum 'V2 Pt1 Pb1' _cell_volume 69.72929347 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.19261114 0.00000000 3.49518625 1 Pt Pt1 1 0.00000000 0.00000000 1.35973684 1 V V2 1 2.19261114 0.00000000 6.76088337 1 V V3 1 0.00000000 0.00000000 5.45357349 1 [/CIF]
PbPtV2
Cmm2
35
orthorhombic
mm2
12,006.273948
false
[CIF] data_ZrPPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64946677 _cell_length_b 4.64946677 _cell_length_c 4.64946677 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPPb _chemical_formula_sum 'Zr1 P1 Pb1' _cell_volume 71.07133050 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 1.64383474 1.64383474 1.64383474 1 Zr Zr2 1 4.93150422 4.93150422 4.93150422 1 [/CIF]
PPbZr
F-43m
216
cubic
-43m
7,696.181405
false
[CIF] data_Nb3NiI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99439327 _cell_length_b 4.99439327 _cell_length_c 4.99439327 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3NiI _chemical_formula_sum 'Nb3 Ni1 I1' _cell_volume 124.57996661 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy I I0 1 2.49719663 2.49719663 2.49719663 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 2.49719663 0.00000000 2.49719663 1 Nb Nb3 1 2.49719663 2.49719663 0.00000000 1 Nb Nb4 1 0.00000000 2.49719663 2.49719663 1 [/CIF]
INb3Ni
Pm-3m
221
cubic
m-3m
6,188.928729
false
[CIF] data_SrBeRuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61612907 _cell_length_b 4.61612907 _cell_length_c 4.61612907 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBeRuRh _chemical_formula_sum 'Sr1 Be1 Ru1 Rh1' _cell_volume 69.55347506 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 3.26409617 3.26409617 3.26409617 1 Ru Ru2 1 1.63204808 1.63204809 1.63204809 1 Sr Sr3 1 4.89614426 4.89614426 4.89614426 1 [/CIF]
BeRhRuSr
F-43m
216
cubic
-43m
7,176.791659
false
[CIF] data_Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61092192 _cell_length_b 4.61092192 _cell_length_c 4.61092192 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc _chemical_formula_sum Sc2 _cell_volume 69.31836452 _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 Sc Sc0 1 1.63020708 1.63020708 1.63020708 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sc2
Fd-3m
227
cubic
m-3m
2,153.86063
false
[CIF] data_Li17P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.37713668 _cell_length_b 8.37713668 _cell_length_c 8.37713668 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li17P12 _chemical_formula_sum 'Li17 P12' _cell_volume 452.54827533 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.43866186 5.30969098 1.43866186 1 Li Li1 1 3.39788026 0.47314886 3.39788026 1 Li Li2 1 1.43866186 4.36339326 -1.43866186 1 Li Li3 1 -1.43866186 4.36339326 1.43866186 1 Li Li4 1 1.43866186 -1.43866186 4.36339326 1 Li Li5 1 -1.43866186 1.43866186 4.36339326 1 Li Li6 1 3.39788026 3.39788026 0.47314886 1 Li Li7 1 1.43866186 1.43866186 5.30969098 1 Li Li8 1 4.36339326 -1.43866186 1.43866186 1 Li Li9 1 4.36339326 1.43866186 -1.43866186 1 Li Li10 1 5.30969098 1.43866186 1.43866186 1 Li Li11 1 0.47314886 3.39788026 3.39788026 1 Li Li12 1 1.45815960 -1.45815960 1.45815960 1 Li Li13 1 3.37838252 3.37838252 3.37838252 1 Li Li14 1 1.45815960 1.45815960 -1.45815960 1 Li Li15 1 -1.45815960 1.45815960 1.45815960 1 Li Li16 1 0.00000000 0.00000000 0.00000000 1 P P17 1 4.07581160 -1.85172538 4.07581160 1 P P18 1 0.76073052 2.98481674 0.76073052 1 P P19 1 -0.76073052 6.68826750 0.76073052 1 P P20 1 0.76073052 6.68826750 -0.76073052 1 P P21 1 -0.76073052 0.76073052 6.68826750 1 P P22 1 0.76073052 -0.76073052 6.68826750 1 P P23 1 0.76073052 0.76073052 2.98481674 1 P P24 1 4.07581160 4.07581160 -1.85172538 1 P P25 1 6.68826750 0.76073052 -0.76073052 1 P P26 1 6.68826750 -0.76073052 0.76073052 1 P P27 1 -1.85172538 4.07581160 4.07581160 1 P P28 1 2.98481674 0.76073052 0.76073052 1 [/CIF]
Li17P12
I-43m
217
cubic
-43m
1,796.794673
false
[CIF] data_MnSi2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14413531 _cell_length_b 3.14413531 _cell_length_c 7.07353331 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSi2Bi _chemical_formula_sum 'Mn1 Si2 Bi1' _cell_volume 69.92602808 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 3.53676666 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 1.57206766 1.57206766 1.21980903 1 Si Si3 1 1.57206766 1.57206766 5.85372428 1 [/CIF]
BiMnSi2
P4/mmm
123
tetragonal
4/mmm
7,601.197322
false
[CIF] data_YGeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53921472 _cell_length_b 3.53921472 _cell_length_c 5.87520257 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YGeMo _chemical_formula_sum 'Y1 Ge1 Mo1' _cell_volume 63.73343128 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.22316076 1 Mo Mo1 1 1.76960736 1.02168329 1.70083466 1 Y Y2 1 -0.00000000 2.04336657 3.95120715 1 [/CIF]
GeMoY
P3m1
156
trigonal
3m
6,709.171551
false
[CIF] data_Na2ZrCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99556760 _cell_length_b 5.99556760 _cell_length_c 5.83298219 _cell_angle_alpha 95.08044744 _cell_angle_beta 95.08044744 _cell_angle_gamma 28.15563943 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2ZrCd _chemical_formula_sum 'Na2 Zr1 Cd1' _cell_volume 98.52683533 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 5.54923321 -0.00000000 2.90431115 1 Na Na1 1 2.44425233 0.00000000 4.33221398 1 Na Na2 1 8.65421409 -0.00000000 1.47640832 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdNa2Zr
C2/m
12
monoclinic
2/m
4,206.921815
false
[CIF] data_ZrNbAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67104318 _cell_length_b 4.67104318 _cell_length_c 4.67104318 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNbAl2 _chemical_formula_sum 'Zr1 Nb1 Al2' _cell_volume 72.06537476 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65146316 1.65146316 1.65146316 1 Al Al1 1 4.95438947 4.95438947 4.95438947 1 Nb Nb2 1 3.30292631 3.30292631 3.30292631 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2NbZr
Fm-3m
225
cubic
m-3m
5,486.178189
false
[CIF] data_Co2ReRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67150085 _cell_length_b 2.67150085 _cell_length_c 7.13996831 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2ReRu _chemical_formula_sum 'Co2 Re1 Ru1' _cell_volume 50.95735972 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.33575043 1.33575043 0.08616806 1 Co Co1 1 0.00000000 0.00000000 1.70662593 1 Re Re2 1 1.33575043 1.33575043 3.47401841 1 Ru Ru3 1 0.00000000 0.00000000 5.44314006 1 [/CIF]
Co2ReRu
P4mm
99
tetragonal
4mm
13,202.340748
false
[CIF] data_KCa2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65333662 _cell_length_b 3.65333662 _cell_length_c 10.65234996 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCa2Pt _chemical_formula_sum 'K1 Ca2 Pt1' _cell_volume 142.17551370 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 1.82666831 1.82666831 6.94784911 1 Ca Ca1 1 1.82666831 1.82666831 3.70450085 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 0.00000000 0.00000000 5.32617498 1 [/CIF]
Ca2KPt
P4/mmm
123
tetragonal
4/mmm
3,671.314516
false
[CIF] data_YAg2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48562660 _cell_length_b 4.48562660 _cell_length_c 4.46093291 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAg2Sn _chemical_formula_sum 'Y1 Ag2 Sn1' _cell_volume 89.75774407 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.24281330 2.23046646 1 Ag Ag1 1 2.24281330 0.00000000 2.23046646 1 Sn Sn2 1 2.24281330 2.24281330 0.00000000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2SnY
P4/mmm
123
tetragonal
4/mmm
7,832.114736
false
[CIF] data_Zr2AgIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76785162 _cell_length_b 4.76785162 _cell_length_c 3.36038036 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2AgIr _chemical_formula_sum 'Zr2 Ag1 Ir1' _cell_volume 76.38954098 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 2.38392581 2.38392581 0.00000000 1 Zr Zr2 1 2.38392581 0.00000000 1.68019018 1 Zr Zr3 1 0.00000000 2.38392581 1.68019018 1 [/CIF]
AgIrZr2
P4/mmm
123
tetragonal
4/mmm
10,489.200737
false
[CIF] data_AsPbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21676097 _cell_length_b 6.21676097 _cell_length_c 6.21676097 _cell_angle_alpha 148.99913903 _cell_angle_beta 148.99913903 _cell_angle_gamma 44.41257346 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsPbW _chemical_formula_sum 'As1 Pb1 W1' _cell_volume 63.54838461 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.03921767 1 Pb Pb1 1 0.00000000 0.00000000 7.80108083 1 W W2 1 0.00000000 -0.00000000 4.18233497 1 [/CIF]
AsPbW
I4mm
107
tetragonal
4mm
12,175.781652
false
[CIF] data_Sr2TaV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04026452 _cell_length_b 3.04026452 _cell_length_c 10.80222840 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.83517040 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2TaV _chemical_formula_sum 'Sr2 Ta1 V1' _cell_volume 99.79603529 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 2.11508879 0.00000000 2.63219120 1 Sr Sr1 1 2.11508879 0.00000000 8.17003720 1 Ta Ta2 1 0.00000000 0.00000000 5.40111420 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sr2TaV
Cmmm
65
orthorhombic
mmm
6,774.35971
false
[CIF] data_ZrRe2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71198001 _cell_length_b 2.71198001 _cell_length_c 8.43617494 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrRe2Ni _chemical_formula_sum 'Zr1 Re2 Ni1' _cell_volume 62.04667956 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 1.35599001 1.35599001 1.80029677 1 Re Re2 1 1.35599001 1.35599001 6.63587817 1 Zr Zr3 1 0.00000000 0.00000000 4.21808747 1 [/CIF]
NiRe2Zr
P4/mmm
123
tetragonal
4/mmm
13,979.018725
false
[CIF] data_KHo2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55409891 _cell_length_b 5.55409891 _cell_length_c 5.55409891 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHo2Tl _chemical_formula_sum 'K1 Ho2 Tl1' _cell_volume 121.15067275 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ho Ho0 1 5.89101150 5.89101150 5.89101150 1 Ho Ho1 1 1.96367050 1.96367050 1.96367050 1 K K2 1 -0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.92734100 3.92734100 3.92734100 1 [/CIF]
Ho2KTl
Fm-3m
225
cubic
m-3m
7,858.455644
false
[CIF] data_LiY2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50295395 _cell_length_b 3.50295395 _cell_length_c 8.06690504 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiY2Mo _chemical_formula_sum 'Li1 Y2 Mo1' _cell_volume 98.98646177 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 0.00000000 0.00000000 4.03345252 1 Y Y2 1 1.75147698 1.75147698 5.74408531 1 Y Y3 1 1.75147698 1.75147698 2.32281973 1 [/CIF]
LiMoY2
P4/mmm
123
tetragonal
4/mmm
4,709.072296
false
[CIF] data_Mg2TaCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91332949 _cell_length_b 2.91332949 _cell_length_c 8.12195512 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TaCu _chemical_formula_sum 'Mg2 Ta1 Cu1' _cell_volume 68.93500244 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 1.45666475 1.45666475 1.81878880 1 Mg Mg2 1 1.45666475 1.45666475 6.30316632 1 Ta Ta3 1 0.00000000 0.00000000 4.06097756 1 [/CIF]
CuMg2Ta
P4/mmm
123
tetragonal
4/mmm
7,060.425416
false
[CIF] data_MnGa2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38479670 _cell_length_b 5.38479670 _cell_length_c 5.38479670 _cell_angle_alpha 140.04541364 _cell_angle_beta 140.04541364 _cell_angle_gamma 57.78435097 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnGa2P _chemical_formula_sum 'Mn1 Ga2 P1' _cell_volume 63.82579554 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83970345 0.00000000 2.35727692 1 Ga Ga1 1 0.00000000 1.83970345 2.35727692 1 Mn Mn2 1 0.00000000 -0.00000000 4.71455384 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2MnP
I4/mmm
139
tetragonal
4/mmm
5,863.075256
false
[CIF] data_Na2CrTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24988005 _cell_length_b 4.24988005 _cell_length_c 5.78751709 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CrTe _chemical_formula_sum 'Na2 Cr1 Te1' _cell_volume 104.53112671 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 2.12494002 2.12494002 1.52165857 1 Na Na2 1 2.12494002 2.12494002 4.26585852 1 Te Te3 1 0.00000000 0.00000000 2.89375855 1 [/CIF]
CrNa2Te
P4/mmm
123
tetragonal
4/mmm
3,583.403069
false
[CIF] data_Y2Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28015662 _cell_length_b 5.28015662 _cell_length_c 3.24621156 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2Ti _chemical_formula_sum 'Y2 Ti1' _cell_volume 78.37924239 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 0.00000000 0.00000000 0.00000000 1 Y Y1 1 2.64007831 1.52424992 1.62310578 1 Y Y2 1 -0.00000000 3.04849985 1.62310578 1 [/CIF]
TiY2
P6/mmm
191
hexagonal
6/mmm
4,781.21868
false
[CIF] data_Ac2LuBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62738487 _cell_length_b 5.62738487 _cell_length_c 5.62738487 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ac2LuBe _chemical_formula_sum 'Ac2 Lu1 Be1' _cell_volume 126.00995524 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ac Ac0 1 5.96874300 5.96874300 5.96874300 1 Ac Ac1 1 1.98958100 1.98958100 1.98958100 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Lu Lu3 1 3.97916200 3.97916200 3.97916200 1 [/CIF]
Ac2BeLu
Fm-3m
225
cubic
m-3m
8,407.185141
false
[CIF] data_TiMnMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07066656 _cell_length_b 3.07066656 _cell_length_c 6.17433136 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMnMo2 _chemical_formula_sum 'Ti1 Mn1 Mo2' _cell_volume 58.21772793 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.08716568 1 Mo Mo1 1 1.53533328 1.53533328 4.55313131 1 Mo Mo2 1 1.53533328 1.53533328 1.62120005 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MnMo2Ti
P4/mmm
123
tetragonal
4/mmm
8,406.422354
false