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_La2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.51406852 _cell_length_b 7.51406852 _cell_length_c 7.20146169 _cell_angle_alpha 112.20516413 _cell_angle_beta 112.20516413 _cell_angle_gamma 31.28762978 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2Ag _chemical_formula_sum 'La4 Ag2' _cell_volume 194.22116720 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.90297405 0.00000000 6.09979791 1 Ag Ag1 1 8.74216763 -0.00000000 0.52387658 1 La La2 1 12.20214452 -0.00000000 4.80867968 1 La La3 1 -0.55700284 0.00000000 1.81499481 1 La La4 1 3.44928485 -0.00000000 2.00525264 1 La La5 1 8.19585683 -0.00000000 4.61842185 1 [/CIF]
Ag2La4
C2/m
12
monoclinic
2/m
6,594.907119
false
[CIF] data_Al2CdAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28872285 _cell_length_b 5.28872285 _cell_length_c 5.50884093 _cell_angle_alpha 104.81346790 _cell_angle_beta 104.81346790 _cell_angle_gamma 31.97626052 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CdAs _chemical_formula_sum 'Al2 Cd1 As1' _cell_volume 78.65987018 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.05146288 0.00000000 0.16683344 1 Al Al1 1 7.23654199 -0.00000000 1.31837010 1 As As2 1 4.24039823 0.00000000 2.43881508 1 Cd Cd3 1 1.52633991 0.00000000 4.04163210 1 [/CIF]
Al2AsCd
Cm
8
monoclinic
m
5,093.841341
false
[CIF] data_H3IO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82244428 _cell_length_b 3.82244428 _cell_length_c 3.82244428 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural H3IO _chemical_formula_sum 'H3 I1 O1' _cell_volume 55.85004022 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91122214 1.91122214 1.91122214 1 H H1 1 1.91122214 0.00000000 1.91122214 1 H H2 1 1.91122214 1.91122214 0.00000000 1 H H3 1 0.00000000 1.91122214 1.91122214 1 O O4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
H3IO
Pm-3m
221
cubic
m-3m
4,338.736896
false
[CIF] data_Tc3Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75756445 _cell_length_b 2.75756445 _cell_length_c 8.78802470 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc3Os _chemical_formula_sum 'Tc3 Os1' _cell_volume 57.87263316 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.39401235 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 0.00000000 1.59208058 6.57920048 1 Tc Tc3 1 -0.00000000 1.59208058 2.20882422 1 [/CIF]
OsTc3
P-6m2
187
hexagonal
-6m2
13,972.012799
false
[CIF] data_NaLa2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71250085 _cell_length_b 3.71250085 _cell_length_c 9.14066811 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLa2Zn _chemical_formula_sum 'Na1 La2 Zn1' _cell_volume 125.98274414 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.72418143 1 La La1 1 1.85625043 1.85625043 2.16794536 1 Na Na2 1 0.00000000 0.00000000 5.05158347 1 Zn Zn3 1 1.85625043 1.85625043 6.90796002 1 [/CIF]
La2NaZn
P4mm
99
tetragonal
4mm
4,826.513165
false
[CIF] data_Nb3PS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54242983 _cell_length_b 4.54242983 _cell_length_c 4.54242983 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3PS _chemical_formula_sum 'Nb3 P1 S1' _cell_volume 93.72699248 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 2.27121491 0.00000000 2.27121491 1 Nb Nb2 1 2.27121491 2.27121491 0.00000000 1 Nb Nb3 1 0.00000000 2.27121491 2.27121491 1 S S4 1 2.27121491 2.27121491 2.27121491 1 [/CIF]
Nb3PS
Pm-3m
221
cubic
m-3m
6,054.844315
false
[CIF] data_K3TiSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.37600304 _cell_length_b 6.37600304 _cell_length_c 6.37600304 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3TiSi _chemical_formula_sum 'K3 Ti1 Si1' _cell_volume 259.20629613 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.18800152 0.00000000 1 K K1 1 0.00000000 0.00000000 3.18800152 1 K K2 1 3.18800152 0.00000000 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 Ti Ti4 1 3.18800152 3.18800152 3.18800152 1 [/CIF]
K3SiTi
Pm-3m
221
cubic
m-3m
1,237.990211
false
[CIF] data_Ga2FeSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33267952 _cell_length_b 3.33267952 _cell_length_c 6.42052683 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2FeSn _chemical_formula_sum 'Ga2 Fe1 Sn1' _cell_volume 71.31120424 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.15818904 1 Ga Ga1 1 1.66633976 1.66633976 6.19764896 1 Ga Ga2 1 0.00000000 0.00000000 1.32942472 1 Sn Sn3 1 1.66633976 1.66633976 3.36605429 1 [/CIF]
FeGa2Sn
P4mm
99
tetragonal
4mm
7,311.767246
false
[CIF] data_ReBi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26063553 _cell_length_b 3.26063553 _cell_length_c 9.21873906 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReBi2Au _chemical_formula_sum 'Re1 Bi2 Au1' _cell_volume 98.01127437 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63031777 1.63031777 6.53185468 1 Bi Bi1 1 0.00000000 0.00000000 8.60635583 1 Bi Bi2 1 1.63031777 1.63031777 3.07067929 1 Re Re3 1 0.00000000 0.00000000 4.83795784 1 [/CIF]
AuBi2Re
P4mm
99
tetragonal
4mm
13,573.081347
false
[CIF] data_YTc2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64828201 _cell_length_b 5.64828201 _cell_length_c 5.64828201 _cell_angle_alpha 145.54434893 _cell_angle_beta 131.04087538 _cell_angle_gamma 61.23870198 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTc2Te _chemical_formula_sum 'Y1 Tc2 Te1' _cell_volume 76.12479237 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tc Tc0 1 1.67286266 0.00000000 0.20112041 1 Tc Tc1 1 0.00000000 -0.00000000 2.41037972 1 Te Te2 1 1.67286266 0.00000000 4.66034017 1 Y Y3 1 -0.00000000 0.00000000 7.31038677 1 [/CIF]
Tc2TeY
Imm2
44
orthorhombic
mm2
9,037.681663
false
[CIF] data_Re2TcPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76936413 _cell_length_b 4.76936413 _cell_length_c 4.76936413 _cell_angle_alpha 131.68709246 _cell_angle_beta 131.68709246 _cell_angle_gamma 70.72368155 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2TcPd _chemical_formula_sum 'Re2 Tc1 Pd1' _cell_volume 59.26616123 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.88948045 1 Re Re1 1 1.95176536 0.00000000 1.94474023 1 Re Re2 1 -0.00000000 1.95176536 1.94474023 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PdRe2Tc
I4/mmm
139
tetragonal
4/mmm
16,187.522665
false
[CIF] data_Y2MnSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49396477 _cell_length_b 3.49396477 _cell_length_c 8.20164349 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2MnSn _chemical_formula_sum 'Y2 Mn1 Sn1' _cell_volume 100.12393986 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.32444046 1 Sn Sn1 1 1.74698238 1.74698238 5.78390135 1 Y Y2 1 0.00000000 0.00000000 7.91791690 1 Y Y3 1 1.74698238 1.74698238 2.47785010 1 [/CIF]
MnSnY2
P4mm
99
tetragonal
4mm
5,828.902036
false
[CIF] data_K2AlV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66584062 _cell_length_b 3.66584062 _cell_length_c 10.35890894 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2AlV _chemical_formula_sum 'K2 Al1 V1' _cell_volume 139.20703223 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.77928665 1 K K1 1 1.83292031 1.83292031 9.54817017 1 K K2 1 0.00000000 0.00000000 3.34823980 1 V V3 1 1.83292031 1.83292031 6.22157573 1 [/CIF]
AlK2V
P4mm
99
tetragonal
4mm
1,862.290479
false
[CIF] data_MgBeHgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45322919 _cell_length_b 4.45322919 _cell_length_c 4.45322919 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBeHgPd _chemical_formula_sum 'Mg1 Be1 Hg1 Pd1' _cell_volume 62.44679363 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 1.57445428 1.57445428 1.57445428 1 Mg Mg2 1 3.14890856 3.14890856 3.14890856 1 Pd Pd3 1 4.72336284 4.72336284 4.72336284 1 [/CIF]
BeHgMgPd
F-43m
216
cubic
-43m
9,049.72935
false
[CIF] data_IrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22653608 _cell_length_b 5.22653608 _cell_length_c 4.22551606 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 149.79134033 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrRu _chemical_formula_sum 'Ir2 Ru2' _cell_volume 58.07719439 _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 Ir Ir0 1 1.36191754 -0.74471269 3.16913705 1 Ir Ir1 1 1.36191754 0.74471269 1.05637902 1 Ru Ru2 1 1.36191754 -3.32033346 3.16913705 1 Ru Ru3 1 1.36191754 3.32033346 1.05637902 1 [/CIF]
Ir2Ru2
Cmcm
63
orthorhombic
mmm
16,771.282648
false
[CIF] data_Cu2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17335724 _cell_length_b 4.17335724 _cell_length_c 4.17335724 _cell_angle_alpha 140.05194174 _cell_angle_beta 121.70777051 _cell_angle_gamma 73.00945538 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2Si _chemical_formula_sum 'Cu2 Si1' _cell_volume 38.88146357 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.03258558 1.31527818 1 Cu Cu1 1 1.42559449 0.00000000 2.03929882 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu4Si2
Immm
71
orthorhombic
mmm
6,627.278846
false
[CIF] data_KZnGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03893780 _cell_length_b 5.03893780 _cell_length_c 5.03893780 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZnGa2 _chemical_formula_sum 'K1 Zn1 Ga2' _cell_volume 90.46945942 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.56306709 3.56306709 3.56306709 1 Ga Ga1 1 5.34460063 5.34460063 5.34460064 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 1.78153354 1.78153355 1.78153355 1 [/CIF]
Ga2KZn
F-43m
216
cubic
-43m
4,477.155407
false
[CIF] data_LaSiRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17736799 _cell_length_b 4.17736799 _cell_length_c 5.70820903 _cell_angle_alpha 103.70731884 _cell_angle_beta 103.70731884 _cell_angle_gamma 56.84206143 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSiRh2 _chemical_formula_sum 'La1 Si1 Rh2' _cell_volume 80.30663812 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 5.42950300 -0.00000000 1.55112705 1 Rh Rh1 1 5.50591058 -0.00000000 4.80143952 1 Rh Rh2 1 0.58852894 -0.00000000 3.43752861 1 Si Si3 1 3.00049116 -0.00000000 3.95267778 1 [/CIF]
LaRh2Si
Cm
8
monoclinic
m
7,708.606035
false
[CIF] data_ZnNiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46400867 _cell_length_b 6.46400867 _cell_length_c 3.37834880 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnNiP _chemical_formula_sum 'Zn3 Ni3 P3' _cell_volume 122.24721645 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 4.17863850 0.00000000 0.00000000 1 Ni Ni1 1 -2.08931925 3.61880709 0.00000000 1 Ni Ni2 1 1.14268509 1.97918863 0.00000000 1 P P3 1 0.00000000 3.73199715 1.68917440 1 P P4 1 3.23200434 1.86599857 1.68917440 1 P P5 1 0.00000000 0.00000000 0.00000000 1 Zn Zn6 1 1.81217362 0.00000000 1.68917440 1 Zn Zn7 1 -0.90608681 1.56938839 1.68917440 1 Zn Zn8 1 2.32591753 4.02860733 1.68917440 1 [/CIF]
Ni3P3Zn3
P-62m
189
hexagonal
-6m2
6,321.160111
false
[CIF] data_Y2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14504410 _cell_length_b 5.14504410 _cell_length_c 5.14504410 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2Sn _chemical_formula_sum 'Y2 Sn1' _cell_volume 96.30576958 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Y Y1 1 5.45714336 5.45714336 5.45714336 1 Y Y2 1 1.81904779 1.81904779 1.81904779 1 [/CIF]
SnY2
Fm-3m
225
cubic
m-3m
5,112.734876
false
[CIF] data_SnMo2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18244070 _cell_length_b 3.18244070 _cell_length_c 6.61477225 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnMo2Cl _chemical_formula_sum 'Sn1 Mo2 Cl1' _cell_volume 66.99394244 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 1.59122035 1.59122035 1.50953607 1 Mo Mo2 1 1.59122035 1.59122035 5.10523618 1 Sn Sn3 1 0.00000000 0.00000000 3.30738613 1 [/CIF]
ClMo2Sn
P4/mmm
123
tetragonal
4/mmm
8,578.153799
false
[CIF] data_TlBOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31721372 _cell_length_b 4.31721372 _cell_length_c 4.31721372 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlBOs _chemical_formula_sum 'Tl1 B1 Os1' _cell_volume 56.89782289 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 3.05273110 3.05273110 3.05273110 1 Tl Tl2 1 1.52636555 1.52636555 1.52636555 1 [/CIF]
BOsTl
F-43m
216
cubic
-43m
11,832.137937
false
[CIF] data_Sc2BiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75464992 _cell_length_b 3.75464992 _cell_length_c 6.39904242 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2BiRu _chemical_formula_sum 'Sc2 Bi1 Ru1' _cell_volume 90.20983515 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87732496 1.87732496 3.06407338 1 Ru Ru1 1 0.00000000 0.00000000 5.39621994 1 Sc Sc2 1 1.87732496 1.87732496 6.01780085 1 Sc Sc3 1 0.00000000 0.00000000 1.51951188 1 [/CIF]
BiRuSc2
P4mm
99
tetragonal
4mm
7,362.311404
false
[CIF] data_YHf2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26383664 _cell_length_b 3.26383664 _cell_length_c 7.88135414 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHf2Fe _chemical_formula_sum 'Y1 Hf2 Fe1' _cell_volume 83.95714650 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.13544528 1 Hf Hf1 1 1.63191832 1.63191832 7.52115033 1 Hf Hf2 1 0.00000000 0.00000000 1.73812098 1 Y Y3 1 1.63191832 1.63191832 4.30866877 1 [/CIF]
FeHf2Y
P4mm
99
tetragonal
4mm
9,923.440833
false
[CIF] data_YTiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26171170 _cell_length_b 3.26171170 _cell_length_c 6.89038442 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTiMo _chemical_formula_sum 'Y1 Ti1 Mo1' _cell_volume 63.48413791 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 1.63085587 0.94157505 0.21174861 1 Ti Ti1 1 0.00000000 0.00000000 1.94353084 1 Y Y2 1 0.00000002 1.88315012 4.73510497 1 [/CIF]
MoTiY
P3m1
156
trigonal
3m
6,087.536227
false
[CIF] data_BaMnCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32567005 _cell_length_b 3.32567005 _cell_length_c 7.09489829 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMnCo2 _chemical_formula_sum 'Ba1 Mn1 Co2' _cell_volume 78.47015177 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.54744915 1 Co Co1 1 1.66283503 1.66283503 5.99660761 1 Co Co2 1 1.66283503 1.66283503 1.09829068 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCo2Mn
P4/mmm
123
tetragonal
4/mmm
6,562.818498
false
[CIF] data_Sc2ReIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88333544 _cell_length_b 4.57743365 _cell_length_c 5.31023909 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.08666642 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2ReIr _chemical_formula_sum 'Sc2 Re1 Ir1' _cell_volume 68.26577906 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.79747466 2.28871682 2.58195119 1 Re Re1 1 -0.14154857 0.00000000 3.87785550 1 Sc Sc2 1 -1.17912541 2.28871682 5.11298053 1 Sc Sc3 1 1.84228002 0.00000000 1.35802574 1 [/CIF]
IrReSc2
Pm
6
monoclinic
m
11,392.090484
false
[CIF] data_ZnAgF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33887792 _cell_length_b 4.33887792 _cell_length_c 4.33887792 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnAgF3 _chemical_formula_sum 'Zn1 Ag1 F3' _cell_volume 81.68311524 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.16943896 2.16943896 2.16943896 1 F F1 1 0.00000000 2.16943896 2.16943896 1 F F2 1 2.16943896 0.00000000 2.16943896 1 F F3 1 2.16943896 2.16943896 0.00000000 1 Zn Zn4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgF3Zn
Pm-3m
221
cubic
m-3m
4,680.626777
false
[CIF] data_BeTcRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77601987 _cell_length_b 2.77601987 _cell_length_c 6.52317576 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTcRu2 _chemical_formula_sum 'Be1 Tc1 Ru2' _cell_volume 50.26946011 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.95878384 1 Ru Ru1 1 1.38800993 1.38800993 6.28280756 1 Ru Ru2 1 0.00000000 0.00000000 1.61567178 1 Tc Tc3 1 1.38800993 1.38800993 3.45067622 1 [/CIF]
BeRu2Tc
P4mm
99
tetragonal
4mm
10,242.08446
false
[CIF] data_KAgAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.65082605 _cell_length_b 9.65082605 _cell_length_c 9.65082605 _cell_angle_alpha 20.17449631 _cell_angle_beta 20.17449631 _cell_angle_gamma 20.17449631 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAgAs2 _chemical_formula_sum 'K1 Ag1 As2' _cell_volume 93.54572604 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.17709285 1 As As1 1 -0.00000000 -0.00000000 21.64498143 1 As As2 1 0.00000000 0.00000000 6.70920428 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgAs2K
R-3m
166
trigonal
-3m
5,268.697174
false
[CIF] data_Hf2BPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99497540 _cell_length_b 2.99497540 _cell_length_c 7.13843710 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2BPd _chemical_formula_sum 'Hf2 B1 Pd1' _cell_volume 64.03090737 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 5.05843009 1 Hf Hf1 1 1.49748770 1.49748770 6.79121303 1 Hf Hf2 1 0.00000000 0.00000000 1.94220477 1 Pd Pd3 1 1.49748770 1.49748770 4.05424487 1 [/CIF]
BHf2Pd
P4mm
99
tetragonal
4mm
12,297.903053
false
[CIF] data_BaV2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97892556 _cell_length_b 4.15303482 _cell_length_c 7.12603138 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.27575540 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaV2W _chemical_formula_sum 'Ba1 V2 W1' _cell_volume 88.13842545 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 V V1 1 0.28600729 2.07651741 2.54047421 1 V V2 1 2.53426223 2.07651741 4.58379077 1 W W3 1 1.41013476 0.00000000 3.56213249 1 [/CIF]
BaV2W
P2/m
10
monoclinic
2/m
7,970.315428
false
[CIF] data_Ge3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16835748 _cell_length_b 3.16835748 _cell_length_c 7.93525712 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge3Ru _chemical_formula_sum 'Ge3 Ru1' _cell_volume 68.98584507 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 1.82925206 5.71762105 1 Ge Ge1 1 -0.00000002 1.82925206 2.21763607 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 0.00000000 0.00000000 3.96762856 1 [/CIF]
Ge3Ru
P-6m2
187
hexagonal
-6m2
7,678.319468
false
[CIF] data_CoTcHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07884336 _cell_length_b 6.07884336 _cell_length_c 6.07884336 _cell_angle_alpha 153.07679085 _cell_angle_beta 153.07679085 _cell_angle_gamma 38.44288006 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoTcHg _chemical_formula_sum 'Co1 Tc1 Hg1' _cell_volume 45.97839228 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.28672159 1 Hg Hg1 1 0.00000000 -0.00000000 7.58656402 1 Tc Tc2 1 0.00000000 -0.00000000 4.08658459 1 [/CIF]
CoHgTc
I4mm
107
tetragonal
4mm
12,944.924319
false
[CIF] data_Br3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.26734445 _cell_length_b 7.26734445 _cell_length_c 7.26734445 _cell_angle_alpha 150.34084866 _cell_angle_beta 150.34084866 _cell_angle_gamma 42.44130357 _symmetry_Int_Tables_number 1 _chemical_formula_structural Br3N _chemical_formula_sum 'Br3 N1' _cell_volume 93.75314355 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86003896 3.38728525 1 Br Br1 1 1.86003896 -0.00000000 3.38728525 1 Br Br2 1 -0.00000000 0.00000000 6.77457050 1 N N3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br3N
I4/mmm
139
tetragonal
4/mmm
4,493.820659
false
[CIF] data_La3YSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71628413 _cell_length_b 5.71628413 _cell_length_c 5.71628413 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3YSn _chemical_formula_sum 'La3 Y1 Sn1' _cell_volume 186.78475293 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 2.85814207 2.85814207 2.85814207 1 La La2 1 0.00000000 2.85814207 0.00000000 1 La La3 1 0.00000000 0.00000000 2.85814207 1 La La4 1 2.85814207 0.00000000 0.00000000 1 [/CIF]
La3SnY
Pm-3m
221
cubic
m-3m
5,550.389376
false
[CIF] data_Hf7Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16776049 _cell_length_b 10.16733819 _cell_length_c 5.53201029 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf7Cd _chemical_formula_sum 'Hf7 Cd1' _cell_volume 178.17328470 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.03655906 1 Hf Hf1 1 0.00000000 5.08366910 5.50544978 1 Hf Hf2 1 1.58388025 0.00000000 2.71770356 1 Hf Hf3 1 1.58388025 5.08366910 2.78756051 1 Hf Hf4 1 1.58388025 2.55783662 4.60306843 1 Hf Hf5 1 1.58388025 7.60950157 4.60306843 1 Hf Hf6 1 0.00000000 2.59505578 1.85931740 1 Hf Hf7 1 0.00000000 7.57228241 1.85931740 1 [/CIF]
CdHf7
Pmm2
25
orthorhombic
mm2
12,692.083366
false
[CIF] data_HfNb2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42431721 _cell_length_b 5.42431721 _cell_length_c 5.42431721 _cell_angle_alpha 142.23406456 _cell_angle_beta 130.68441260 _cell_angle_gamma 63.74216069 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNb2Ge _chemical_formula_sum 'Hf1 Nb2 Ge1' _cell_volume 73.20213835 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 -0.00000000 -0.00000000 4.60653795 1 Nb Nb2 1 -0.00000000 2.26301276 2.33882454 1 Nb Nb3 1 1.75550520 -0.00000000 2.26771341 1 [/CIF]
GeHfNb2
Immm
71
orthorhombic
mmm
9,911.739455
false
[CIF] data_NbCrIrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39910485 _cell_length_b 4.39910485 _cell_length_c 4.39910485 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCrIrOs _chemical_formula_sum 'Nb1 Cr1 Ir1 Os1' _cell_volume 60.19742879 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 4.66595531 4.66595531 4.66595531 1 Nb Nb2 1 1.55531844 1.55531844 1.55531844 1 Os Os3 1 3.11063687 3.11063687 3.11063687 1 [/CIF]
CrIrNbOs
F-43m
216
cubic
-43m
14,546.874026
false
[CIF] data_LiCdInPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17787960 _cell_length_b 5.17787960 _cell_length_c 5.17787960 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCdInPb _chemical_formula_sum 'Li1 Cd1 In1 Pb1' _cell_volume 98.16142314 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.66131378 3.66131378 3.66131378 1 In In1 1 1.83065689 1.83065689 1.83065689 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 5.49197067 5.49197067 5.49197067 1 [/CIF]
CdInLiPb
F-43m
216
cubic
-43m
7,466.396721
false
[CIF] data_NbFe6Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49840644 _cell_length_b 6.49840644 _cell_length_c 10.43023966 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.19177793 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbFe6Sb _chemical_formula_sum 'Nb4 Fe24 Sb4' _cell_volume 420.78209968 _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 Fe Fe0 1 3.85665240 2.65197971 2.59247372 1 Fe Fe1 1 5.77070702 -1.30480284 3.88985775 1 Fe Fe2 1 1.94259778 1.30480284 3.88985775 1 Fe Fe3 1 3.85665240 -2.65197971 2.59247372 1 Fe Fe4 1 1.94259778 -1.30480284 3.88985775 1 Fe Fe5 1 5.77070702 1.30480284 3.88985775 1 Fe Fe6 1 3.85665240 0.00000000 0.00000000 1 Fe Fe7 1 1.93404716 1.31114363 1.28314498 1 Fe Fe8 1 1.93404716 -1.31114363 1.28314498 1 Fe Fe9 1 3.85665240 2.65197971 7.83776594 1 Fe Fe10 1 5.77925764 -1.31114363 9.14709468 1 Fe Fe11 1 1.93404716 1.31114363 9.14709468 1 Fe Fe12 1 3.85665240 -2.65197971 7.83776594 1 Fe Fe13 1 1.93404716 -1.31114363 9.14709468 1 Fe Fe14 1 5.77925764 1.31114363 9.14709468 1 Fe Fe15 1 3.85665240 0.00000000 5.21511983 1 Fe Fe16 1 1.94259778 1.30480284 6.54038191 1 Fe Fe17 1 1.94259778 -1.30480284 6.54038191 1 Fe Fe18 1 0.00000000 0.00000000 0.00000000 1 Fe Fe19 1 5.77925764 1.31114363 1.28314498 1 Fe Fe20 1 5.77925764 -1.31114363 1.28314498 1 Fe Fe21 1 0.00000000 0.00000000 5.21511983 1 Fe Fe22 1 5.77070702 1.30480284 6.54038191 1 Fe Fe23 1 5.77070702 -1.30480284 6.54038191 1 Nb Nb24 1 3.85665240 2.66506004 0.00000000 1 Nb Nb25 1 3.85665240 -2.66506004 0.00000000 1 Nb Nb26 1 0.00000000 0.00000000 2.49828615 1 Nb Nb27 1 0.00000000 0.00000000 7.93195351 1 Sb Sb28 1 3.85665240 2.63511884 5.21511983 1 Sb Sb29 1 3.85665240 -2.63511884 5.21511983 1 Sb Sb30 1 3.85665240 0.00000000 2.54833514 1 Sb Sb31 1 3.85665240 0.00000000 7.88190452 1 [/CIF]
Fe24Nb4Sb4
Cmmm
65
orthorhombic
mmm
8,677.733544
false
[CIF] data_CrCdOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78261750 _cell_length_b 4.78261750 _cell_length_c 4.78261750 _cell_angle_alpha 131.83235836 _cell_angle_beta 131.83235836 _cell_angle_gamma 70.49392784 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCdOs2 _chemical_formula_sum 'Cr1 Cd1 Os2' _cell_volume 59.50859699 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.90583045 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.95165553 -0.00000000 1.95291523 1 Os Os3 1 0.00000000 1.95165553 1.95291522 1 [/CIF]
CdCrOs2
I4/mmm
139
tetragonal
4/mmm
15,204.073889
false
[CIF] data_BeBMo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14439459 _cell_length_b 4.14439459 _cell_length_c 4.14439459 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeBMo3 _chemical_formula_sum 'Be1 B1 Mo3' _cell_volume 71.18414849 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 2.07219730 0.00000000 2.07219730 1 Mo Mo2 1 2.07219730 2.07219730 0.00000000 1 Mo Mo3 1 0.00000000 2.07219730 2.07219730 1 B B4 1 2.07219730 2.07219730 2.07219730 1 [/CIF]
BBeMo3
Pm-3m
221
cubic
m-3m
7,177.906394
false
[CIF] data_Zn2CdCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90591438 _cell_length_b 3.41626041 _cell_length_c 6.11335461 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CdCo _chemical_formula_sum 'Zn2 Cd1 Co1' _cell_volume 60.68947356 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45295719 1.70813021 3.16192842 1 Co Co1 1 0.00000000 0.00000000 4.83748772 1 Zn Zn2 1 1.45295719 1.70813021 5.95574047 1 Zn Zn3 1 0.00000000 0.00000000 1.32822991 1 [/CIF]
CdCoZn2
Pmm2
25
orthorhombic
mm2
8,265.944464
false
[CIF] data_Ag2GeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64572000 _cell_length_b 6.98919700 _cell_length_c 10.31124400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2GeO3 _chemical_formula_sum 'Ag8 Ge4 O12' _cell_volume 334.80456957 _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 2.77477500 4.34250850 6.43834400 1 Ag Ag1 1 4.19380500 2.64668850 1.28272200 1 Ag Ag2 1 0.45191500 6.14128700 3.87290000 1 Ag Ag3 1 1.87094500 0.84791000 9.02852200 1 Ag Ag4 1 4.56106500 2.74938850 8.04436400 1 Ag Ag5 1 2.40751500 4.23980850 2.88874200 1 Ag Ag6 1 2.23820500 0.74521000 2.26688000 1 Ag Ag7 1 0.08465500 6.24398700 7.42250200 1 Ge Ge8 1 2.47486500 0.90732850 5.82635400 1 Ge Ge9 1 4.49371500 6.08186850 0.67073200 1 Ge Ge10 1 0.15200500 2.58727000 4.48489000 1 Ge Ge11 1 2.17085500 4.40192700 9.64051200 1 O O12 1 3.29640500 0.98891850 7.37810400 1 O O13 1 3.67217500 6.00027850 2.22248200 1 O O14 1 0.97354500 2.50568000 2.93314000 1 O O15 1 1.34931500 4.48351700 8.08876200 1 O O16 1 1.31634500 2.28188850 5.81683400 1 O O17 1 1.00651500 4.70730850 0.66121200 1 O O18 1 3.63920500 1.21271000 4.49441000 1 O O19 1 3.32937500 5.77648700 9.65003200 1 O O20 1 2.91122500 2.85420850 9.90098400 1 O O21 1 4.05735500 4.13498850 4.74536200 1 O O22 1 0.58836500 0.64039000 0.41026000 1 O O23 1 1.73449500 6.34880700 5.56588200 1 [/CIF]
Ag8Ge4O12
P2_12_12_1
19
orthorhombic
222
6,673.303952
false
[CIF] data_YMgZnCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89071235 _cell_length_b 4.89071235 _cell_length_c 4.89071235 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMgZnCr _chemical_formula_sum 'Y1 Mg1 Zn1 Cr1' _cell_volume 82.71825498 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.18738380 5.18738381 5.18738381 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 3.45825587 3.45825587 3.45825587 1 Zn Zn3 1 1.72912793 1.72912793 1.72912793 1 [/CIF]
CrMgYZn
F-43m
216
cubic
-43m
4,628.949665
false
[CIF] data_YVSnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24929457 _cell_length_b 5.24929457 _cell_length_c 5.24929457 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YVSnPb _chemical_formula_sum 'Y1 V1 Sn1 Pb1' _cell_volume 102.27932103 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.56771769 5.56771769 5.56771769 1 Sn Sn1 1 3.71181179 3.71181179 3.71181179 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 1.85590590 1.85590590 1.85590590 1 [/CIF]
PbSnVY
F-43m
216
cubic
-43m
7,561.726724
false
[CIF] data_Al2AsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80693039 _cell_length_b 3.80693039 _cell_length_c 5.34046972 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2AsSe _chemical_formula_sum 'Al2 As1 Se1' _cell_volume 77.39792675 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Al Al1 1 1.90346519 1.90346519 2.67023486 1 As As2 1 0.00000000 0.00000000 2.67023486 1 Se Se3 1 1.90346519 1.90346519 0.00000000 1 [/CIF]
Al2AsSe
P4/mmm
123
tetragonal
4/mmm
4,459.22586
false
[CIF] data_CaYZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12278897 _cell_length_b 5.12278897 _cell_length_c 5.12278897 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYZn2 _chemical_formula_sum 'Ca1 Y1 Zn2' _cell_volume 95.06144249 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Y Y1 1 3.62235882 3.62235882 3.62235882 1 Zn Zn2 1 1.81117941 1.81117941 1.81117941 1 Zn Zn3 1 5.43353823 5.43353823 5.43353823 1 [/CIF]
CaYZn2
Fm-3m
225
cubic
m-3m
4,537.225046
false
[CIF] data_TaZn2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69840816 _cell_length_b 4.25720058 _cell_length_c 5.62494032 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZn2W _chemical_formula_sum 'Ta1 Zn2 W1' _cell_volume 64.61742883 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 0.00000000 0.00000000 2.84755286 1 W W1 1 1.34920408 2.12860029 4.21068059 1 Zn Zn2 1 0.00000000 0.00000000 0.01973792 1 Zn Zn3 1 1.34920408 2.12860029 1.35943912 1 [/CIF]
TaWZn2
Pmm2
25
orthorhombic
mm2
12,734.592339
false
[CIF] data_Mn2CoNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25105470 _cell_length_b 4.25105470 _cell_length_c 4.25105470 _cell_angle_alpha 131.08149435 _cell_angle_beta 131.08149435 _cell_angle_gamma 71.68363359 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CoNi _chemical_formula_sum 'Mn2 Co1 Ni1' _cell_volume 42.70448665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 3.44606086 1 Mn Mn1 1 0.00000000 1.76013219 1.72303043 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 1.76013219 -0.00000000 1.72303043 1 [/CIF]
CoMn2Ni
I-4m2
119
tetragonal
-42m
8,846.309272
false
[CIF] data_NbZnReSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57260324 _cell_length_b 4.57260324 _cell_length_c 4.57260324 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbZnReSn _chemical_formula_sum 'Nb1 Zn1 Re1 Sn1' _cell_volume 67.60449327 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61665938 1.61665938 1.61665938 1 Re Re1 1 4.84997814 4.84997814 4.84997814 1 Sn Sn2 1 3.23331876 3.23331876 3.23331876 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbReSnZn
F-43m
216
cubic
-43m
11,377.458376
false
[CIF] data_NaHfBeNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37690312 _cell_length_b 4.37690312 _cell_length_c 4.37690312 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHfBeNi _chemical_formula_sum 'Na1 Hf1 Be1 Ni1' _cell_volume 59.29059453 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 4.64240682 4.64240682 4.64240682 1 Na Na2 1 3.09493788 3.09493788 3.09493788 1 Ni Ni3 1 1.54746894 1.54746894 1.54746894 1 [/CIF]
BeHfNaNi
F-43m
216
cubic
-43m
7,539.016863
false
[CIF] data_Cd2TcOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77446240 _cell_length_b 4.84636210 _cell_length_c 5.08959987 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.51357690 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2TcOs _chemical_formula_sum 'Cd2 Tc1 Os1' _cell_volume 68.11839403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93024741 2.42318105 1.26582058 1 Cd Cd1 1 0.35519799 2.42318105 3.80023205 1 Os Os2 1 1.14272270 0.00000000 2.53302631 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2OsTc
P2/m
10
monoclinic
2/m
12,528.887121
false
[CIF] data_CaHfCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99328283 _cell_length_b 4.99328283 _cell_length_c 4.99328283 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHfCd _chemical_formula_sum 'Ca1 Hf1 Cd1' _cell_volume 88.03259431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 1.76539208 1.76539208 1.76539207 1 Hf Hf2 1 3.53078415 3.53078415 3.53078415 1 [/CIF]
CaCdHf
F-43m
216
cubic
-43m
6,243.182585
false
[CIF] data_SrPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58125746 _cell_length_b 5.58125746 _cell_length_c 5.58125746 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrPt2 _chemical_formula_sum 'Sr2 Pt4' _cell_volume 122.93659300 _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 Sr Sr0 1 0.00000000 0.00000000 0.00000000 1 Sr Sr1 1 1.97327250 1.97327250 1.97327250 1 Pt Pt2 1 4.93318125 4.93318125 4.93318125 1 Pt Pt3 1 4.93318125 2.95990875 2.95990875 1 Pt Pt4 1 2.95990875 4.93318125 2.95990875 1 Pt Pt5 1 2.95990875 2.95990875 4.93318125 1 [/CIF]
Pt4Sr2
Fd-3m
227
cubic
m-3m
12,907.233236
false
[CIF] data_RbSc3Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53019285 _cell_length_b 5.53019285 _cell_length_c 5.53019285 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbSc3Hg _chemical_formula_sum 'Rb1 Sc3 Hg1' _cell_volume 169.13007020 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.76509643 0.00000000 2.76509643 1 Sc Sc1 1 2.76509643 2.76509643 0.00000000 1 Sc Sc2 1 0.00000000 2.76509643 2.76509643 1 Hg Hg3 1 2.76509643 2.76509643 2.76509643 1 Rb Rb4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgRbSc3
Pm-3m
221
cubic
m-3m
4,132.696781
false
[CIF] data_ZrAl4Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.73010669 _cell_length_b 3.91691233 _cell_length_c 6.60180391 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAl4Cu _chemical_formula_sum 'Zr2 Al8 Cu2' _cell_volume 199.89041042 _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 Al Al0 1 7.26063443 1.95845617 2.09859859 1 Al Al1 1 4.33452561 1.95845617 2.09859859 1 Al Al2 1 0.46947226 1.95845617 4.50320532 1 Al Al3 1 3.39558108 1.95845617 4.50320532 1 Al Al4 1 1.93252667 1.95845617 0.35927235 1 Al Al5 1 5.79758002 1.95845617 6.24253156 1 Al Al6 1 0.00000000 0.00000000 0.00000000 1 Al Al7 1 3.86505335 0.00000000 0.00000000 1 Cu Cu8 1 1.93252667 0.00000000 5.21846865 1 Cu Cu9 1 5.79758002 0.00000000 1.38333526 1 Zr Zr10 1 1.93252667 0.00000000 2.44955174 1 Zr Zr11 1 5.79758002 0.00000000 4.15225217 1 [/CIF]
Al8Cu2Zr2
Pmma
51
orthorhombic
mmm
4,364.563824
false
[CIF] data_Cd2SiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95461936 _cell_length_b 4.94091077 _cell_length_c 4.80504698 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.38247826 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2SiNi _chemical_formula_sum 'Cd2 Si1 Ni1' _cell_volume 69.94143261 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.60256700 2.47045539 1.22759656 1 Cd Cd1 1 1.98487896 2.47045539 3.56340127 1 Ni Ni2 1 1.29372298 0.00000000 2.39549891 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2NiSi
P2/m
10
monoclinic
2/m
7,397.982116
false
[CIF] data_KCu2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64437309 _cell_length_b 4.64437309 _cell_length_c 4.64437309 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCu2Pt _chemical_formula_sum 'K1 Cu2 Pt1' _cell_volume 70.83800187 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64203385 1.64203385 1.64203385 1 Cu Cu1 1 4.92610156 4.92610156 4.92610156 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 3.28406771 3.28406771 3.28406771 1 [/CIF]
Cu2KPt
Fm-3m
225
cubic
m-3m
8,468.766011
false
[CIF] data_BaNaReBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30806564 _cell_length_b 5.30806564 _cell_length_c 5.30806564 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNaReBi _chemical_formula_sum 'Ba1 Na1 Re1 Bi1' _cell_volume 105.75328258 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.63005382 5.63005382 5.63005382 1 Bi Bi1 1 1.87668461 1.87668461 1.87668460 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 3.75336921 3.75336921 3.75336921 1 [/CIF]
BaBiNaRe
F-43m
216
cubic
-43m
8,722.531842
false
[CIF] data_TaInHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07495576 _cell_length_b 3.07495576 _cell_length_c 10.06359751 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.36280249 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaInHg2 _chemical_formula_sum 'Ta1 In1 Hg2' _cell_volume 87.99857643 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.14567832 1 Hg Hg1 1 1.71141377 0.00000000 7.56396040 1 In In2 1 0.00000000 0.00000000 4.88235141 1 Ta Ta3 1 1.71141377 0.00000000 2.50340613 1 [/CIF]
Hg2InTa
Cmm2
35
orthorhombic
mm2
13,151.415715
false
[CIF] data_HfInRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62510384 _cell_length_b 4.62510384 _cell_length_c 4.62510384 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfInRh2 _chemical_formula_sum 'Hf1 In1 Rh2' _cell_volume 69.95994601 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.90566344 4.90566344 4.90566344 1 In In1 1 3.27044229 3.27044229 3.27044229 1 Rh Rh2 1 1.63522115 1.63522115 1.63522115 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfInRh2
F-43m
216
cubic
-43m
11,846.873041
false
[CIF] data_ZrTiNiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49386619 _cell_length_b 4.49386619 _cell_length_c 4.49386619 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTiNiMo _chemical_formula_sum 'Zr1 Ti1 Ni1 Mo1' _cell_volume 64.17197616 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 3.17764326 3.17764326 3.17764326 1 Ni Ni1 1 1.58882163 1.58882163 1.58882163 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 4.76646489 4.76646489 4.76646489 1 [/CIF]
MoNiTiZr
F-43m
216
cubic
-43m
7,601.044583
false
[CIF] data_K2NiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45133467 _cell_length_b 5.45133467 _cell_length_c 6.61605430 _cell_angle_alpha 112.43752847 _cell_angle_beta 112.43752847 _cell_angle_gamma 51.75848808 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2NiHg _chemical_formula_sum 'K2 Ni1 Hg1' _cell_volume 139.83557121 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.08187328 -0.00000000 3.75481366 1 K K1 1 6.84888532 -0.00000000 5.56674082 1 K K2 1 6.79656180 0.00000000 1.95799525 1 Ni Ni3 1 3.94306374 -0.00000000 3.69853578 1 [/CIF]
HgK2Ni
Cm
8
monoclinic
m
4,007.554868
false
[CIF] data_K2VSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76141285 _cell_length_b 4.76141285 _cell_length_c 5.01106943 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2VSe _chemical_formula_sum 'K2 V1 Se1' _cell_volume 113.60621727 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.38070643 2.50553472 1 K K1 1 2.38070643 0.00000000 2.50553472 1 Se Se2 1 2.38070643 2.38070643 0.00000000 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2SeV
P4/mmm
123
tetragonal
4/mmm
3,041.691142
false
[CIF] data_Al2SbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15216950 _cell_length_b 4.15216950 _cell_length_c 5.84246955 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2SbBr _chemical_formula_sum 'Al2 Sb1 Br1' _cell_volume 100.72716380 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 5.07989722 1 Al Al1 1 2.07608475 2.07608475 2.19365253 1 Br Br2 1 0.00000000 0.00000000 2.21540486 1 Sb Sb3 1 2.07608475 2.07608475 5.11721932 1 [/CIF]
Al2BrSb
P4mm
99
tetragonal
4mm
4,214.185164
false
[CIF] data_LaMnTcNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51313927 _cell_length_b 4.51313927 _cell_length_c 4.51313927 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMnTcNi _chemical_formula_sum 'La1 Mn1 Tc1 Ni1' _cell_volume 65.00117508 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 3.19127138 3.19127138 3.19127138 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 4.78690707 4.78690707 4.78690707 1 Tc Tc3 1 1.59563569 1.59563569 1.59563569 1 [/CIF]
LaMnNiTc
F-43m
216
cubic
-43m
8,978.068803
false
[CIF] data_SrAsRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99325102 _cell_length_b 5.99325102 _cell_length_c 5.99325102 _cell_angle_alpha 41.38060818 _cell_angle_beta 41.38060818 _cell_angle_gamma 41.38060818 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAsRh2 _chemical_formula_sum 'Sr1 As1 Rh2' _cell_volume 84.99110900 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 -0.00000000 -0.00000000 4.92468477 1 Rh Rh2 1 0.00000000 -0.00000000 11.49070733 1 Sr Sr3 1 0.00000000 0.00000000 8.20769605 1 [/CIF]
AsRh2Sr
R-3m
166
trigonal
-3m
7,196.798466
false
[CIF] data_TlCuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55017422 _cell_length_b 4.55017422 _cell_length_c 4.55017422 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCuAu _chemical_formula_sum 'Tl1 Cu1 Au1' _cell_volume 66.61454719 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.21745905 3.21745905 3.21745905 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.60872952 1.60872952 1.60872953 1 [/CIF]
AuCuTl
F-43m
216
cubic
-43m
11,588.726261
false
[CIF] data_GdPuAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12808771 _cell_length_b 5.12808771 _cell_length_c 5.12808771 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GdPuAu2 _chemical_formula_sum 'Gd1 Pu1 Au2' _cell_volume 95.35672717 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81305280 1.81305280 1.81305280 1 Au Au1 1 5.43915839 5.43915839 5.43915839 1 Gd Gd2 1 0.00000000 0.00000000 0.00000000 1 Pu Pu3 1 3.62610560 3.62610560 3.62610560 1 [/CIF]
Au2GdPu
Fm-3m
225
cubic
m-3m
13,847.294312
false
[CIF] data_K2Cu(ClF)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.11328527 _cell_length_b 8.11328527 _cell_length_c 6.33734200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 45.98447097 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2Cu(ClF)2 _chemical_formula_sum 'K4 Cu2 Cl4 F4' _cell_volume 299.99984290 _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 13.09414924 -0.00000000 3.16867100 1 K K1 1 5.62540124 -0.00000000 0.00000000 1 K K2 1 1.84334676 -0.00000000 3.16867100 1 K K3 1 9.31209476 -0.00000000 0.00000000 1 Cu Cu4 1 0.00000000 0.00000000 0.00000000 1 Cu Cu5 1 7.46874800 -0.00000000 3.16867100 1 Cl Cl6 1 12.60490144 -0.00000000 0.00000000 1 Cl Cl7 1 2.33259456 -0.00000000 0.00000000 1 Cl Cl8 1 5.13615344 -0.00000000 3.16867100 1 Cl Cl9 1 9.80134256 -0.00000000 3.16867100 1 F F10 1 7.46874800 1.81167997 1.35743964 1 F F11 1 7.46874800 -1.81167997 4.97990236 1 F F12 1 7.46874800 -1.35742103 1.81123136 1 F F13 1 7.46874800 1.35742103 4.52611064 1 [/CIF]
Cl4Cu2F4K4
Cmce
64
orthorhombic
mmm
2,774.711381
false
[CIF] data_Nb2NiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97997358 _cell_length_b 4.97997358 _cell_length_c 4.97997358 _cell_angle_alpha 134.54094547 _cell_angle_beta 134.54094547 _cell_angle_gamma 66.24430945 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2NiRh _chemical_formula_sum 'Nb2 Ni1 Rh1' _cell_volume 61.76782014 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 -0.00000000 4.17076518 1 Nb Nb1 1 0.00000000 1.92416926 2.08538259 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 1.92416926 -0.00000000 2.08538259 1 [/CIF]
Nb2NiRh
I-4m2
119
tetragonal
-42m
9,339.66315
false
[CIF] data_C3OF2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82225200 _cell_length_b 5.50430000 _cell_length_c 9.28834099 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.26908844 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C3OF2 _chemical_formula_sum 'C12 O4 F8' _cell_volume 334.82632143 _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 C C0 1 4.34816007 2.51575132 3.66827102 1 C C1 1 -0.12802607 2.98854868 5.24813298 1 C C2 1 1.17303293 5.26790132 0.78993098 1 C C3 1 3.04710107 0.23639868 8.12647302 1 C C4 1 5.50265973 1.58717591 3.58267354 1 C C5 1 -1.28252573 3.91712409 5.33373046 1 C C6 1 0.01853327 4.33932591 0.87552846 1 C C7 1 4.20160073 1.16497409 8.04087554 1 C C8 1 5.66467477 4.66796565 0.02998587 1 C C9 1 -1.44454077 0.83633435 8.88641813 1 C C10 1 -0.14348177 1.91581565 4.42821613 1 C C11 1 4.36361577 3.58848435 4.48818787 1 O O12 1 5.48225602 0.58990134 2.86597299 1 O O13 1 -1.26212202 4.91439866 6.05043101 1 O O14 1 0.03893698 3.34205134 1.59222901 1 O O15 1 4.18119702 2.16224866 7.32417499 1 F F16 1 0.88692461 1.07017353 4.33096491 1 F F17 1 3.33320939 4.43412647 4.58543909 1 F F18 1 4.63426839 3.82232353 0.12723709 1 F F19 1 -0.41413439 1.68197647 8.78916691 1 F F20 1 3.29988657 2.21986768 2.89500480 1 F F21 1 0.92024743 3.28443232 6.02139920 1 F F22 1 2.22130643 4.97201768 1.56319720 1 F F23 1 1.99882757 0.53228232 7.35320680 1 [/CIF]
C12F8O4
P2_1/c
14
monoclinic
2/m
1,785.947046
false
[CIF] data_LiAlCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88067469 _cell_length_b 4.88067469 _cell_length_c 4.88067469 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAlCl _chemical_formula_sum 'Li1 Al1 Cl1' _cell_volume 82.20998848 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 5.17673726 5.17673726 5.17673725 1 Cl Cl1 1 3.45115817 3.45115817 3.45115817 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AlClLi
F-43m
216
cubic
-43m
1,401.299212
false
[CIF] data_MgAlO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73244100 _cell_length_b 3.73244100 _cell_length_c 3.73244100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAlO3 _chemical_formula_sum 'Mg1 Al1 O3' _cell_volume 51.99706786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86622050 1.86622050 1.86622050 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 O O2 1 0.00000000 0.00000000 1.86622050 1 O O3 1 0.00000000 1.86622050 0.00000000 1 O O4 1 1.86622050 0.00000000 0.00000000 1 [/CIF]
AlMgO3
Pm-3m
221
cubic
m-3m
3,170.682386
false
[CIF] data_Ba2CaY _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45157944 _cell_length_b 6.45157944 _cell_length_c 6.45157944 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CaY _chemical_formula_sum 'Ba2 Ca1 Y1' _cell_volume 189.88171669 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28097779 2.28097779 2.28097779 1 Ba Ba1 1 6.84293336 6.84293336 6.84293336 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 4.56195557 4.56195557 4.56195557 1 [/CIF]
Ba2CaY
Fm-3m
225
cubic
m-3m
3,529.862856
false
[CIF] data_Ag2PdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79422585 _cell_length_b 4.79422585 _cell_length_c 4.79422585 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2PdPb _chemical_formula_sum 'Ag2 Pd1 Pb1' _cell_volume 77.91847970 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69501481 1.69501481 1.69501480 1 Ag Ag1 1 3.39002961 3.39002961 3.39002961 1 Pb Pb2 1 5.08504442 5.08504442 5.08504442 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2PbPd
F-43m
216
cubic
-43m
11,281.238875
false
[CIF] data_Li2MgRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24068347 _cell_length_b 6.24068347 _cell_length_c 6.24068347 _cell_angle_alpha 145.75845707 _cell_angle_beta 145.75845707 _cell_angle_gamma 49.20567484 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MgRe2 _chemical_formula_sum 'Li2 Mg1 Re2' _cell_volume 76.60550523 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 6.72563824 1 Li Li1 1 0.00000000 -0.00000000 4.62261396 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 -0.00000000 1.83717490 2.83706305 1 Re Re4 1 1.83717490 -0.00000000 2.83706305 1 [/CIF]
Li2MgRe2
I4/mmm
139
tetragonal
4/mmm
8,900.391679
false
[CIF] data_MnTcP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92864140 _cell_length_b 4.92864140 _cell_length_c 4.92864140 _cell_angle_alpha 146.71375418 _cell_angle_beta 146.71375418 _cell_angle_gamma 47.78780364 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTcP _chemical_formula_sum 'Mn1 Tc1 P1' _cell_volume 35.91732516 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.82948420 1 P P1 1 -0.00000000 0.00000000 3.10080559 1 Tc Tc2 1 -0.00000000 0.00000000 6.09467976 1 [/CIF]
MnPTc
I4mm
107
tetragonal
4mm
8,544.553901
false
[CIF] data_NaTcCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33172109 _cell_length_b 3.33172109 _cell_length_c 7.08829305 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTcCl2 _chemical_formula_sum 'Na1 Tc1 Cl2' _cell_volume 78.68264307 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 1.66586054 1.66586054 5.32501558 1 Cl Cl1 1 1.66586054 1.66586054 1.76327747 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 0.00000000 0.00000000 3.54414652 1 [/CIF]
Cl2NaTc
P4/mmm
123
tetragonal
4/mmm
4,068.943157
false
[CIF] data_BaNbGaPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37847885 _cell_length_b 5.37847885 _cell_length_c 5.37847885 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNbGaPb _chemical_formula_sum 'Ba1 Nb1 Ga1 Pb1' _cell_volume 110.01791207 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.90157944 1.90157944 1.90157944 1 Ga Ga1 1 0.00000000 -0.00000000 0.00000000 1 Nb Nb2 1 5.70473831 5.70473831 5.70473831 1 Pb Pb3 1 3.80315887 3.80315887 3.80315887 1 [/CIF]
BaGaNbPb
F-43m
216
cubic
-43m
7,654.689732
false
[CIF] data_MgCuTcMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37641289 _cell_length_b 4.37641289 _cell_length_c 4.37641289 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCuTcMo _chemical_formula_sum 'Mg1 Cu1 Tc1 Mo1' _cell_volume 59.27067414 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 3.09459123 3.09459123 3.09459123 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 4.64188685 4.64188685 4.64188685 1 Tc Tc3 1 1.54729562 1.54729562 1.54729562 1 [/CIF]
CuMgMoTc
F-43m
216
cubic
-43m
7,920.661646
false
[CIF] data_V2CrIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78332898 _cell_length_b 4.13670616 _cell_length_c 5.48517318 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.04769163 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2CrIn _chemical_formula_sum 'V2 Cr1 In1' _cell_volume 61.26654451 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.75340287 0.00000000 2.34443143 1 In In1 1 -0.22197730 2.06835308 3.97708525 1 V V2 1 -0.02541431 0.00000000 0.28599519 1 V V3 1 1.67186251 2.06835308 1.37418868 1 [/CIF]
CrInV2
Pm
6
monoclinic
m
7,282.637452
false
[CIF] data_RbYbPa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78897715 _cell_length_b 5.78897715 _cell_length_c 5.78897715 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbYbPa2 _chemical_formula_sum 'Rb1 Yb1 Pa2' _cell_volume 137.17990840 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pa Pa0 1 6.14013750 6.14013750 6.14013750 1 Pa Pa1 1 2.04671250 2.04671250 2.04671250 1 Rb Rb2 1 0.00000000 0.00000000 0.00000000 1 Yb Yb3 1 4.09342500 4.09342500 4.09342500 1 [/CIF]
Pa2RbYb
Fm-3m
225
cubic
m-3m
8,722.66042
false
[CIF] data_TbHf2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06108566 _cell_length_b 5.06108566 _cell_length_c 5.06108566 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbHf2Sn _chemical_formula_sum 'Tb1 Hf2 Sn1' _cell_volume 91.66764322 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.36809199 5.36809199 5.36809199 1 Hf Hf1 1 1.78936400 1.78936400 1.78936400 1 Sn Sn2 1 0.00000000 0.00000000 0.00000000 1 Tb Tb3 1 3.57872799 3.57872799 3.57872799 1 [/CIF]
Hf2SnTb
Fm-3m
225
cubic
m-3m
11,495.916596
false
[CIF] data_MgInReW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58103326 _cell_length_b 4.58103326 _cell_length_c 4.58103326 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgInReW _chemical_formula_sum 'Mg1 In1 Re1 W1' _cell_volume 67.97908830 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61963984 1.61963984 1.61963984 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 4.85891952 4.85891952 4.85891952 1 W W3 1 3.23927968 3.23927968 3.23927968 1 [/CIF]
InMgReW
F-43m
216
cubic
-43m
12,437.599528
false
[CIF] data_NaSi2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68139458 _cell_length_b 4.68139458 _cell_length_c 4.68139458 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSi2As _chemical_formula_sum 'Na1 Si2 As1' _cell_volume 72.54554454 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65512293 1.65512293 1.65512293 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 4.96536877 4.96536877 4.96536877 1 Si Si3 1 3.31024585 3.31024585 3.31024585 1 [/CIF]
AsNaSi2
F-43m
216
cubic
-43m
3,526.885011
false
[CIF] data_Ti2RePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44718438 _cell_length_b 4.44718438 _cell_length_c 4.44718438 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2RePt _chemical_formula_sum 'Ti2 Re1 Pt1' _cell_volume 62.19284273 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 1.57231711 1.57231712 1.57231712 1 Re Re1 1 3.14463423 3.14463423 3.14463423 1 Ti Ti2 1 4.71695135 4.71695135 4.71695135 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtReTi2
F-43m
216
cubic
-43m
12,736.492069
false
[CIF] data_V2GeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41847586 _cell_length_b 4.41847586 _cell_length_c 4.41847586 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2GeCl _chemical_formula_sum 'V2 Ge1 Cl1' _cell_volume 60.99615519 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 4.68650136 4.68650136 4.68650136 1 V V2 1 3.12433424 3.12433424 3.12433424 1 V V3 1 1.56216712 1.56216712 1.56216712 1 [/CIF]
ClGeV2
F-43m
216
cubic
-43m
5,716.316873
false
[CIF] data_KZn2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16854215 _cell_length_b 5.16854215 _cell_length_c 5.39392493 _cell_angle_alpha 100.12125586 _cell_angle_beta 100.12125586 _cell_angle_gamma 35.93955642 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZn2Cu _chemical_formula_sum 'K1 Zn2 Cu1' _cell_volume 83.11658346 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.42705906 0.00000000 2.67962628 1 K K1 1 7.12724636 -0.00000000 1.33957173 1 Zn Zn2 1 8.83069180 -0.00000000 5.26471680 1 Zn Zn3 1 1.70585378 -0.00000000 3.96877941 1 [/CIF]
CuKZn2
Cm
8
monoclinic
m
4,663.052093
false
[CIF] data_Tc2AgBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50776190 _cell_length_b 4.50776190 _cell_length_c 4.50776190 _cell_angle_alpha 117.12178985 _cell_angle_beta 117.12178985 _cell_angle_gamma 95.06196948 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2AgBr _chemical_formula_sum 'Tc2 Ag1 Br1' _cell_volume 67.30258714 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.35121286 1.52180103 1 Br Br1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 2.35121286 0.00000000 1.52180104 1 Tc Tc3 1 0.00000000 -0.00000000 3.04360207 1 [/CIF]
AgBrTc2
I-4m2
119
tetragonal
-42m
9,513.427625
false
[CIF] data_CoHg4Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73822828 _cell_length_b 5.73822828 _cell_length_c 5.73822828 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoHg4Au _chemical_formula_sum 'Co1 Hg4 Au1' _cell_volume 133.60369429 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.08631020 6.08631020 6.08631019 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 5.07345145 5.07345145 3.04162881 1 Hg Hg3 1 5.07345145 3.04162881 5.07345145 1 Hg Hg4 1 3.04162881 5.07345145 5.07345145 1 Hg Hg5 1 3.04162881 3.04162881 3.04162881 1 [/CIF]
AuCoHg4
F-43m
216
cubic
-43m
13,152.94229
false
[CIF] data_CrGaRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22950587 _cell_length_b 4.22950587 _cell_length_c 4.22950587 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGaRu2 _chemical_formula_sum 'Cr1 Ga1 Ru2' _cell_volume 53.50001442 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.99071228 2.99071228 2.99071228 1 Ru Ru2 1 4.48606843 4.48606843 4.48606843 1 Ru Ru3 1 1.49535614 1.49535614 1.49535614 1 [/CIF]
CrGaRu2
Fm-3m
225
cubic
m-3m
10,051.98072
false
[CIF] data_Mg2AgP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70223825 _cell_length_b 4.70223825 _cell_length_c 4.70223825 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2AgP _chemical_formula_sum 'Mg2 Ag1 P1' _cell_volume 73.51888140 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.32498455 3.32498455 3.32498455 1 Mg Mg1 1 1.66249228 1.66249228 1.66249227 1 Mg Mg2 1 4.98747682 4.98747682 4.98747682 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgMg2P
Fm-3m
225
cubic
m-3m
4,233.896111
false
[CIF] data_TiPdPt4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21332708 _cell_length_b 5.21332708 _cell_length_c 5.21332708 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiPdPt4 _chemical_formula_sum 'Ti1 Pd1 Pt4' _cell_volume 100.19127910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 1.84318947 1.84318947 1.84318947 1 Pt Pt1 1 2.76619156 2.76619156 4.60656630 1 Pt Pt2 1 2.76619156 4.60656630 2.76619156 1 Pt Pt3 1 4.60656630 2.76619156 2.76619156 1 Pt Pt4 1 4.60656630 4.60656630 4.60656630 1 Ti Ti5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PdPt4Ti
F-43m
216
cubic
-43m
15,490.15062
false
[CIF] data_TaZn2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78040200 _cell_length_b 2.78040200 _cell_length_c 7.89346723 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZn2Ru _chemical_formula_sum 'Ta1 Zn2 Ru1' _cell_volume 61.02151626 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 0.00000000 0.00000000 3.94673361 1 Zn Zn2 1 1.39020100 1.39020100 6.04756555 1 Zn Zn3 1 1.39020100 1.39020100 1.84590168 1 [/CIF]
RuTaZn2
P4/mmm
123
tetragonal
4/mmm
11,232.657553
false
[CIF] data_SrMnBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64440890 _cell_length_b 4.64440890 _cell_length_c 4.77986034 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMnBi _chemical_formula_sum 'Sr1 Mn1 Bi1' _cell_volume 89.29080448 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.32220447 1.34072535 0.75848167 1 Mn Mn1 1 0.00000000 0.00000000 0.85864202 1 Sr Sr2 1 0.00000002 2.68145071 3.16273665 1 [/CIF]
BiMnSr
P3m1
156
trigonal
3m
6,537.552489
false
[CIF] data_InCoSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01697847 _cell_length_b 5.01697847 _cell_length_c 6.05573503 _cell_angle_alpha 111.52991100 _cell_angle_beta 111.52991100 _cell_angle_gamma 41.01275184 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCoSe2 _chemical_formula_sum 'In1 Co1 Se2' _cell_volume 92.02674077 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.69151819 -0.00000000 3.47243016 1 In In1 1 0.18655186 -0.00000000 3.49680917 1 Se Se2 1 -2.03410304 -0.00000000 5.04785335 1 Se Se3 1 7.32142014 0.00000000 1.91176470 1 [/CIF]
CoInSe2
Cm
8
monoclinic
m
5,984.705879
false
[CIF] data_SbPdRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10070456 _cell_length_b 3.10070456 _cell_length_c 6.84216806 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbPdRh2 _chemical_formula_sum 'Sb1 Pd1 Rh2' _cell_volume 65.78312690 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.13502530 1 Rh Rh1 1 1.55035228 1.55035228 0.04439903 1 Rh Rh2 1 0.00000000 0.00000000 1.71990142 1 Sb Sb3 1 1.55035228 1.55035228 3.36392634 1 [/CIF]
PdRh2Sb
P4mm
99
tetragonal
4mm
10,955.0738
false