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_Sc2NbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82787393 _cell_length_b 4.70191445 _cell_length_c 5.87164642 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2NbW _chemical_formula_sum 'Sc2 Nb1 W1' _cell_volume 78.07188449 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.30491753 1 Sc Sc1 1 1.41393696 2.35095722 5.83238730 1 Sc Sc2 1 0.00000000 0.00000000 1.54695894 1 W W3 1 1.41393696 2.35095722 2.99485228 1 [/CIF]
NbSc2W
Pmm2
25
orthorhombic
mm2
7,798.58557
false
[CIF] data_TiSiW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80208095 _cell_length_b 2.80208095 _cell_length_c 8.31496218 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.11326372 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSiW2 _chemical_formula_sum 'Ti1 Si1 W2' _cell_volume 61.68721091 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 0.00000000 0.00000000 1 Ti Ti1 1 0.00000000 0.00000000 4.15748109 1 W W2 1 1.62492111 0.00000000 6.37689782 1 W W3 1 1.62492111 0.00000000 1.93806436 1 [/CIF]
SiTiW2
Cmmm
65
orthorhombic
mmm
11,942.006886
false
[CIF] data_Ti2MnGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95692385 _cell_length_b 4.95692385 _cell_length_c 4.95692385 _cell_angle_alpha 135.90620216 _cell_angle_beta 135.90620216 _cell_angle_gamma 64.12538151 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2MnGa _chemical_formula_sum 'Ti2 Mn1 Ga1' _cell_volume 58.17393121 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86065773 -0.00000000 2.10041661 1 Mn Mn1 1 0.00000000 0.00000000 4.20083321 1 Ti Ti2 1 0.00000000 1.86065773 2.10041661 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaMnTi2
I-4m2
119
tetragonal
-42m
6,291.04093
false
[CIF] data_EuZrOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70118671 _cell_length_b 4.70118671 _cell_length_c 4.70118671 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuZrOs2 _chemical_formula_sum 'Eu1 Zr1 Os2' _cell_volume 73.46957043 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Eu Eu0 1 3.32424100 3.32424100 3.32424100 1 Os Os1 1 1.66212050 1.66212050 1.66212050 1 Os Os2 1 4.98636150 4.98636150 4.98636150 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
EuOs2Zr
Fm-3m
225
cubic
m-3m
14,095.520932
false
[CIF] data_KRhW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74494961 _cell_length_b 2.74494961 _cell_length_c 10.79583558 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.36941314 _symmetry_Int_Tables_number 1 _chemical_formula_structural KRhW2 _chemical_formula_sum 'K1 Rh1 W2' _cell_volume 74.67098007 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 0.00000000 0.00000000 5.39791779 1 W W2 1 1.50765230 0.00000000 7.63404432 1 W W3 1 1.50765230 0.00000000 3.16179126 1 [/CIF]
KRhW2
Cmmm
65
orthorhombic
mmm
11,334.388014
false
[CIF] data_Ta2AlCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27142596 _cell_length_b 3.27142596 _cell_length_c 5.96863408 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2AlCr _chemical_formula_sum 'Ta2 Al1 Cr1' _cell_volume 63.87768165 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 3.11064175 1 Cr Cr1 1 1.63571298 1.63571298 4.38047163 1 Ta Ta2 1 0.00000000 0.00000000 5.87130643 1 Ta Ta3 1 1.63571298 1.63571298 1.55916539 1 [/CIF]
AlCrTa2
P4mm
99
tetragonal
4mm
11,460.771475
false
[CIF] data_AlPd2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50593877 _cell_length_b 4.50593877 _cell_length_c 3.19084244 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlPd2Cl _chemical_formula_sum 'Al1 Pd2 Cl1' _cell_volume 64.78521906 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 2.25296939 2.25296939 0.00000000 1 Pd Pd2 1 2.25296939 0.00000000 1.59542122 1 Pd Pd3 1 0.00000000 2.25296939 1.59542122 1 [/CIF]
AlClPd2
P4/mmm
123
tetragonal
4/mmm
7,055.685417
false
[CIF] data_SbS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44626935 _cell_length_b 4.44626935 _cell_length_c 4.44626935 _cell_angle_alpha 48.88025451 _cell_angle_beta 48.88025451 _cell_angle_gamma 48.88025451 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbS _chemical_formula_sum 'Sb1 S1' _cell_volume 45.79073277 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S S0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 0.00000000 -0.00000000 5.85905000 1 [/CIF]
SSb
R-3m
166
trigonal
-3m
5,578.255938
false
[CIF] data_Zn3B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67029913 _cell_length_b 2.67029913 _cell_length_c 7.34282638 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn3B _chemical_formula_sum 'Zn3 B1' _cell_volume 52.35800473 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Zn Zn1 1 1.33514957 1.33514957 5.82902907 1 Zn Zn2 1 0.00000000 0.00000000 3.67141319 1 Zn Zn3 1 1.33514957 1.33514957 1.51379731 1 [/CIF]
BZn3
P4/mmm
123
tetragonal
4/mmm
6,563.470517
false
[CIF] data_SiCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79768840 _cell_length_b 4.79768840 _cell_length_c 4.79768840 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiCl3 _chemical_formula_sum 'Si1 Cl3' _cell_volume 78.08742747 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69623900 1.69623900 1.69623900 1 Cl Cl1 1 5.08871700 5.08871700 5.08871700 1 Cl Cl2 1 3.39247800 3.39247800 3.39247800 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl3Si
Fm-3m
225
cubic
m-3m
2,858.979374
false
[CIF] data_AlNi2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11234089 _cell_length_b 3.11234089 _cell_length_c 6.59853020 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlNi2Bi _chemical_formula_sum 'Al1 Ni2 Bi1' _cell_volume 63.91775692 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 0.00000000 0.00000000 3.29926510 1 Ni Ni2 1 1.55617045 1.55617045 5.34088406 1 Ni Ni3 1 1.55617045 1.55617045 1.25764614 1 [/CIF]
AlBiNi2
P4/mmm
123
tetragonal
4/mmm
9,179.755562
false
[CIF] data_LiScAlFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53376421 _cell_length_b 4.53376421 _cell_length_c 4.53376421 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiScAlFe _chemical_formula_sum 'Li1 Sc1 Al1 Fe1' _cell_volume 65.89641570 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60292771 1.60292771 1.60292771 1 Fe Fe1 1 4.80878313 4.80878313 4.80878313 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 3.20585542 3.20585542 3.20585542 1 [/CIF]
AlFeLiSc
F-43m
216
cubic
-43m
3,394.927486
false
[CIF] data_LaPt2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.83105953 _cell_length_b 9.83105953 _cell_length_c 9.83105953 _cell_angle_alpha 17.79424164 _cell_angle_beta 17.79424164 _cell_angle_gamma 17.79424164 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaPt2Au _chemical_formula_sum 'La1 Pt2 Au1' _cell_volume 77.46640290 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.50952539 1 La La1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 -0.00000000 -0.00000000 21.87526855 1 Pt Pt3 1 0.00000000 0.00000000 7.14378224 1 [/CIF]
AuLaPt2
R-3m
166
trigonal
-3m
15,563.106103
false
[CIF] data_Mn6SnP6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06768406 _cell_length_b 5.06768406 _cell_length_c 7.35214390 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6SnP6 _chemical_formula_sum 'Mn6 Sn1 P6' _cell_volume 163.51729483 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -1.26692102 2.19437157 1.90392082 1 Mn Mn1 1 1.26692102 2.19437157 1.90392082 1 Mn Mn2 1 2.53384203 0.00000000 1.90392082 1 Mn Mn3 1 1.26692102 2.19437157 5.44822308 1 Mn Mn4 1 -1.26692102 2.19437157 5.44822308 1 Mn Mn5 1 2.53384203 0.00000000 5.44822308 1 P P6 1 2.53384203 1.46291438 3.67607195 1 P P7 1 -0.00000000 2.92582876 3.67607195 1 P P8 1 2.53384203 1.46291438 0.00000000 1 P P9 1 -0.00000000 2.92582876 0.00000000 1 P P10 1 0.00000000 0.00000000 4.80750712 1 P P11 1 0.00000000 0.00000000 2.54463678 1 Sn Sn12 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mn6P6Sn
P6/mmm
191
hexagonal
6/mmm
6,440.127791
false
[CIF] data_ScV2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38764133 _cell_length_b 4.38764133 _cell_length_c 4.38764133 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScV2Os _chemical_formula_sum 'Sc1 V2 Os1' _cell_volume 59.72805318 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10253094 3.10253094 3.10253094 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 4.65379641 4.65379641 4.65379641 1 V V3 1 1.55126547 1.55126547 1.55126547 1 [/CIF]
OsScV2
Fm-3m
225
cubic
m-3m
9,371.075512
false
[CIF] data_BaP2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28572761 _cell_length_b 3.28572761 _cell_length_c 7.33368206 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaP2Os _chemical_formula_sum 'Ba1 P2 Os1' _cell_volume 79.17447497 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.58988753 1 Os Os1 1 1.64286380 1.64286380 6.27708350 1 P P2 1 0.00000000 0.00000000 7.15735358 1 P P3 1 1.64286380 1.64286380 1.30988054 1 [/CIF]
BaOsP2
P4mm
99
tetragonal
4mm
8,169.146767
false
[CIF] data_Co2AgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34809403 _cell_length_b 4.34809403 _cell_length_c 3.07660100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2AgAu _chemical_formula_sum 'Co2 Ag1 Au1' _cell_volume 58.16597759 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 2.17404702 2.17404702 0.00000000 1 Co Co2 1 2.17404702 0.00000000 1.53830050 1 Co Co3 1 0.00000000 2.17404702 1.53830050 1 [/CIF]
AgAuCo2
P4/mmm
123
tetragonal
4/mmm
12,067.394328
false
[CIF] data_Li2RuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12915822 _cell_length_b 5.12915822 _cell_length_c 4.81650494 _cell_angle_alpha 102.91762268 _cell_angle_beta 102.91762268 _cell_angle_gamma 29.99672459 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2RuAu _chemical_formula_sum 'Li2 Ru1 Au1' _cell_volume 61.63073437 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74372266 0.00000000 3.25837598 1 Li Li1 1 9.71911955 -0.00000000 0.16704160 1 Li Li2 1 7.27430013 -0.00000000 1.00235402 1 Ru Ru3 1 4.36292390 0.00000000 2.60083781 1 [/CIF]
AuLi2Ru
Cm
8
monoclinic
m
8,404.134313
false
[CIF] data_K2LiDy _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.30264985 _cell_length_b 6.30264985 _cell_length_c 6.30264985 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2LiDy _chemical_formula_sum 'K2 Li1 Dy1' _cell_volume 177.03312743 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Dy Dy0 1 4.45664644 4.45664644 4.45664644 1 K K1 1 2.22832322 2.22832322 2.22832322 1 K K2 1 6.68496967 6.68496967 6.68496967 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
DyK2Li
Fm-3m
225
cubic
m-3m
2,322.796389
false
[CIF] data_Y2AlTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45950519 _cell_length_b 3.45950519 _cell_length_c 7.75604887 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2AlTc _chemical_formula_sum 'Y2 Al1 Tc1' _cell_volume 92.82575918 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 4.35041729 1 Tc Tc1 1 1.72975259 1.72975259 5.30009894 1 Y Y2 1 0.00000000 0.00000000 7.27266677 1 Y Y3 1 1.72975259 1.72975259 2.46693909 1 [/CIF]
AlTcY2
P4mm
99
tetragonal
4mm
5,432.81075
false
[CIF] data_KBa2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.49899684 _cell_length_b 7.49899684 _cell_length_c 7.61234803 _cell_angle_alpha 120.34079060 _cell_angle_beta 120.34079060 _cell_angle_gamma 32.70519996 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBa2Ir _chemical_formula_sum 'K1 Ba2 Ir1' _cell_volume 196.65335097 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 -3.67120328 0.00000000 5.95403740 1 Ba Ba1 1 10.85369774 -0.00000000 2.06415885 1 Ir Ir2 1 4.41495619 0.00000000 4.05161239 1 K K3 1 -0.02910011 0.00000000 4.11049387 1 [/CIF]
Ba2IrK
Cm
8
monoclinic
m
4,272.400063
false
[CIF] data_CuSnBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17089757 _cell_length_b 5.17089757 _cell_length_c 5.17089757 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSnBr2 _chemical_formula_sum 'Cu1 Sn1 Br2' _cell_volume 97.76486575 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.48456511 5.48456511 5.48456511 1 Br Br1 1 1.82818837 1.82818837 1.82818837 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.65637674 3.65637674 3.65637674 1 [/CIF]
Br2CuSn
Fm-3m
225
cubic
m-3m
5,809.966913
false
[CIF] data_ScSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27280538 _cell_length_b 3.27280538 _cell_length_c 4.28537564 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSn _chemical_formula_sum 'Sc1 Sn1' _cell_volume 45.90175149 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 1.63640269 1.63640269 2.14268782 1 [/CIF]
ScSn
P4/mmm
123
tetragonal
4/mmm
5,920.768422
false
[CIF] data_KScGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12535744 _cell_length_b 5.12535744 _cell_length_c 5.12535744 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KScGa2 _chemical_formula_sum 'K1 Sc1 Ga2' _cell_volume 95.20449996 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 5.43626250 5.43626250 5.43626250 1 Ga Ga1 1 1.81208750 1.81208750 1.81208750 1 K K2 1 -0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 3.62417500 3.62417500 3.62417500 1 [/CIF]
Ga2KSc
Fm-3m
225
cubic
m-3m
3,898.24886
false
[CIF] data_ScTlCdHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13223863 _cell_length_b 5.13223863 _cell_length_c 5.13223863 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTlCdHg _chemical_formula_sum 'Sc1 Tl1 Cd1 Hg1' _cell_volume 95.58847360 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.44356111 5.44356111 5.44356111 1 Hg Hg1 1 1.81452037 1.81452037 1.81452037 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.62904074 3.62904074 3.62904074 1 [/CIF]
CdHgScTl
F-43m
216
cubic
-43m
9,768.83358
false
[CIF] data_KSrGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52329596 _cell_length_b 5.52329596 _cell_length_c 3.88013367 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrGe2 _chemical_formula_sum 'K1 Sr1 Ge2' _cell_volume 118.37045510 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.76164798 0.00000000 1.94006684 1 Ge Ge1 1 0.00000000 2.76164798 1.94006684 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 2.76164798 2.76164798 0.00000000 1 [/CIF]
Ge2KSr
P4/mmm
123
tetragonal
4/mmm
3,815.680212
false
[CIF] data_Na2NbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29724013 _cell_length_b 5.29724013 _cell_length_c 5.29724013 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2NbBr _chemical_formula_sum 'Na2 Nb1 Br1' _cell_volume 105.10756727 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 3.74571442 3.74571442 3.74571442 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 5.61857163 5.61857163 5.61857163 1 Nb Nb3 1 1.87285721 1.87285721 1.87285721 1 [/CIF]
BrNa2Nb
F-43m
216
cubic
-43m
3,456.546627
false
[CIF] data_NbPt2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94698829 _cell_length_b 4.94698829 _cell_length_c 4.94698829 _cell_angle_alpha 131.87444419 _cell_angle_beta 131.87444419 _cell_angle_gamma 70.42740106 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbPt2Au _chemical_formula_sum 'Nb1 Pt2 Au1' _cell_volume 65.77629909 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.04172425 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 0.00000000 2.01707191 2.02086213 1 Pt Pt3 1 2.01707191 -0.00000000 2.02086213 1 [/CIF]
AuNbPt2
I4/mmm
139
tetragonal
4/mmm
17,168.05536
false
[CIF] data_RbSr3Li _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59862058 _cell_length_b 6.59862058 _cell_length_c 6.59862058 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbSr3Li _chemical_formula_sum 'Rb1 Sr3 Li1' _cell_volume 287.31577507 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.29931029 0.00000000 1 Sr Sr1 1 0.00000000 0.00000000 3.29931029 1 Sr Sr2 1 3.29931029 0.00000000 0.00000000 1 Rb Rb3 1 3.29931029 3.29931029 3.29931029 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LiRbSr3
Pm-3m
221
cubic
m-3m
2,053.272993
false
[CIF] data_MnTcW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07805084 _cell_length_b 3.07805084 _cell_length_c 6.18583957 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTcW2 _chemical_formula_sum 'Mn1 Tc1 W2' _cell_volume 58.60709970 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.99305503 1 Tc Tc1 1 1.53902542 1.53902542 4.65765939 1 W W2 1 0.00000000 0.00000000 6.14356072 1 W W3 1 1.53902542 1.53902542 1.67032378 1 [/CIF]
MnTcW2
P4mm
99
tetragonal
4mm
14,776.560987
false
[CIF] data_FeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20026453 _cell_length_b 4.20026453 _cell_length_c 4.20026453 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeIr _chemical_formula_sum 'Fe2 Ir2' _cell_volume 52.39802646 _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 Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Fe Fe1 1 1.48501777 1.48501777 1.48501777 1 Ir Ir2 1 2.97003553 2.97003553 2.97003553 1 Ir Ir3 1 4.45505330 4.45505330 4.45505330 1 [/CIF]
Fe2Ir2
Fd-3m
227
cubic
m-3m
15,722.601394
false
[CIF] data_Eu2ErCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60475753 _cell_length_b 5.60475753 _cell_length_c 5.60475753 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Eu2ErCd _chemical_formula_sum 'Eu2 Er1 Cd1' _cell_volume 124.49602621 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Er Er1 1 3.96316206 3.96316206 3.96316206 1 Eu Eu2 1 5.94474308 5.94474308 5.94474308 1 Eu Eu3 1 1.98158103 1.98158103 1.98158103 1 [/CIF]
CdErEu2
Fm-3m
225
cubic
m-3m
7,784.082012
false
[CIF] data_BaCd2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41689483 _cell_length_b 5.41689483 _cell_length_c 5.41689483 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCd2Ge _chemical_formula_sum 'Ba1 Cd2 Ge1' _cell_volume 112.39221089 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.74548460 5.74548461 5.74548461 1 Cd Cd1 1 1.91516153 1.91516153 1.91516153 1 Cd Cd2 1 3.83032307 3.83032307 3.83032307 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCd2Ge
F-43m
216
cubic
-43m
6,423.791422
false
[CIF] data_CaLaMnFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76650155 _cell_length_b 4.76650155 _cell_length_c 4.76650155 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLaMnFe _chemical_formula_sum 'Ca1 La1 Mn1 Fe1' _cell_volume 76.57450860 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Fe Fe1 1 3.37042557 3.37042557 3.37042557 1 La La2 1 1.68521279 1.68521279 1.68521279 1 Mn Mn3 1 5.05563836 5.05563835 5.05563836 1 [/CIF]
CaFeLaMn
F-43m
216
cubic
-43m
6,283.665768
false
[CIF] data_LiBiPdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56111660 _cell_length_b 4.56111660 _cell_length_c 4.56111660 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBiPdRh _chemical_formula_sum 'Li1 Bi1 Pd1 Rh1' _cell_volume 67.09629309 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.22519648 3.22519648 3.22519648 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.61259824 1.61259824 1.61259824 1 Rh Rh3 1 4.83779472 4.83779472 4.83779472 1 [/CIF]
BiLiPdRh
F-43m
216
cubic
-43m
10,524.263829
false
[CIF] data_PrTl(MoO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25958400 _cell_length_b 19.30954500 _cell_length_c 8.41996000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrTl(MoO4)2 _chemical_formula_sum 'Pr4 Tl4 Mo8 O32' _cell_volume 855.13260208 _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 Pr Pr0 1 2.62979200 9.54607907 6.31497000 1 Pr Pr1 1 0.00000000 0.10869343 2.10499000 1 Pr Pr2 1 2.62979200 9.76346593 2.10499000 1 Pr Pr3 1 0.00000000 19.20085157 6.31497000 1 Tl Tl4 1 0.00000000 4.41093729 6.31497000 1 Tl Tl5 1 2.62979200 5.24383521 2.10499000 1 Tl Tl6 1 0.00000000 14.89860771 2.10499000 1 Tl Tl7 1 2.62979200 14.06570979 6.31497000 1 Mo Mo8 1 2.52870280 1.96148289 4.32092981 1 Mo Mo9 1 5.15849480 7.69328961 4.09903019 1 Mo Mo10 1 0.10108920 7.69328961 0.11094981 1 Mo Mo11 1 2.73088120 1.96148289 8.30901019 1 Mo Mo12 1 2.73088120 17.34806211 4.09903019 1 Mo Mo13 1 0.10108920 11.61625539 4.32092981 1 Mo Mo14 1 5.15849480 11.61625539 8.30901019 1 Mo Mo15 1 2.52870280 17.34806211 0.11094981 1 O O16 1 3.16660618 3.60132669 4.37723409 1 O O17 1 0.53681418 6.05344581 4.04272591 1 O O18 1 4.72276982 6.05344581 0.16725409 1 O O19 1 2.09297782 3.60132669 8.25270591 1 O O20 1 2.09297782 15.70821831 4.04272591 1 O O21 1 4.72276982 13.25609919 4.37723409 1 O O22 1 0.53681418 13.25609919 8.25270591 1 O O23 1 3.16660618 15.70821831 0.16725409 1 O O24 1 3.93212285 0.74426710 4.20038967 1 O O25 1 1.30233085 8.91050540 4.21957033 1 O O26 1 3.95725315 8.91050540 8.41036967 1 O O27 1 1.32746115 0.74426710 0.00959033 1 O O28 1 1.32746115 18.56527790 4.21957033 1 O O29 1 3.95725315 10.39903960 4.20038967 1 O O30 1 1.30233085 10.39903960 0.00959033 1 O O31 1 3.93212285 18.56527790 8.41036967 1 O O32 1 1.46796567 17.42978010 7.08676879 1 O O33 1 4.09775767 11.53453740 1.33319121 1 O O34 1 1.16182633 11.53453740 2.87678879 1 O O35 1 3.79161833 17.42978010 5.54317121 1 O O36 1 3.79161833 1.87976490 1.33319121 1 O O37 1 1.16182633 7.77500760 7.08676879 1 O O38 1 4.09775767 7.77500760 5.54317121 1 O O39 1 1.46796567 1.87976490 2.87678879 1 O O40 1 1.39493635 17.53969003 1.51848927 1 O O41 1 4.02472835 11.42462747 6.90147073 1 O O42 1 1.23485565 11.42462747 5.72846927 1 O O43 1 3.86464765 17.53969003 2.69149073 1 O O44 1 3.86464765 1.76985497 6.90147073 1 O O45 1 1.23485565 7.88491753 1.51848927 1 O O46 1 4.02472835 7.88491753 2.69149073 1 O O47 1 1.39493635 1.76985497 5.72846927 1 [/CIF]
Mo8O32Pr4Tl4
Pbcn
60
orthorhombic
mmm
5,166.9217
true
[CIF] data_KPAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17502109 _cell_length_b 4.17502109 _cell_length_c 10.44646834 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KPAu _chemical_formula_sum 'K2 P2 Au2' _cell_volume 157.69483554 _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 2.08751054 1.20522477 2.61161708 1 Au Au1 1 -0.00000000 2.41044955 7.83485126 1 K K2 1 0.00000000 0.00000000 0.00000000 1 K K3 1 0.00000000 0.00000000 5.22323417 1 P P4 1 2.08751054 1.20522477 7.83485126 1 P P5 1 -0.00000000 2.41044955 2.61161708 1 [/CIF]
Au2K2P2
P6_3/mmc
194
hexagonal
6/mmm
5,620.995191
false
[CIF] data_YHf2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43385795 _cell_length_b 3.43385795 _cell_length_c 7.78488430 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHf2Se _chemical_formula_sum 'Y1 Hf2 Se1' _cell_volume 91.79453231 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71692898 1.71692898 6.25284172 1 Hf Hf1 1 1.71692898 1.71692898 1.53204258 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 0.00000000 0.00000000 3.89244215 1 [/CIF]
Hf2SeY
P4/mmm
123
tetragonal
4/mmm
9,494.324073
false
[CIF] data_LiFe2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.54372111 _cell_length_b 2.54372111 _cell_length_c 6.10697306 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFe2B _chemical_formula_sum 'Li1 Fe2 B1' _cell_volume 39.51527353 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.27186055 1.27186055 4.89361138 1 Fe Fe1 1 0.00000000 0.00000000 5.80044918 1 Fe Fe2 1 1.27186055 1.27186055 1.32360488 1 Li Li3 1 0.00000000 0.00000000 3.24976721 1 [/CIF]
BFe2Li
P4mm
99
tetragonal
4mm
5,439.504239
false
[CIF] data_GdZrTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18038165 _cell_length_b 5.18038165 _cell_length_c 5.18038165 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GdZrTl2 _chemical_formula_sum 'Gd1 Zr1 Tl2' _cell_volume 98.30379211 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Gd Gd0 1 3.66308299 3.66308299 3.66308299 1 Tl Tl1 1 1.83154150 1.83154150 1.83154150 1 Tl Tl2 1 5.49462449 5.49462449 5.49462449 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GdTl2Zr
Fm-3m
225
cubic
m-3m
11,102.050786
false
[CIF] data_RePRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.33413791 _cell_length_b 8.33413791 _cell_length_c 8.33413791 _cell_angle_alpha 19.26265572 _cell_angle_beta 19.26265572 _cell_angle_gamma 19.26265572 _symmetry_Int_Tables_number 1 _chemical_formula_structural RePRu2 _chemical_formula_sum 'Re1 P1 Ru2' _cell_volume 55.07387692 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.30971210 1 Re Re1 1 -0.00000000 -0.00000000 18.53623185 1 Ru Ru2 1 0.00000000 0.00000000 0.01701105 1 Ru Ru3 1 -0.00000000 -0.00000000 5.93414496 1 [/CIF]
PReRu2
R3m
160
trigonal
3m
12,642.990534
false
[CIF] data_ReW5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20393560 _cell_length_b 5.20393560 _cell_length_c 5.20393560 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReW5 _chemical_formula_sum 'Re1 W5' _cell_volume 99.65078905 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 1.83986907 1.83986907 1.83986907 1 W W1 1 2.75699808 2.75699808 4.60247822 1 W W2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 4.60247822 2.75699808 2.75699808 1 W W4 1 4.60247822 4.60247822 4.60247822 1 W W5 1 2.75699808 4.60247822 2.75699808 1 [/CIF]
ReW5
F-43m
216
cubic
-43m
18,420.039876
false
[CIF] data_Hf2MgIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.03766163 _cell_length_b 9.03766163 _cell_length_c 9.03766163 _cell_angle_alpha 21.51550922 _cell_angle_beta 21.51550922 _cell_angle_gamma 21.51550922 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2MgIr _chemical_formula_sum 'Hf2 Mg1 Ir1' _cell_volume 86.99977958 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 -0.00000000 0.00000000 20.23843787 1 Hf Hf1 1 -0.00000000 0.00000000 6.23729889 1 Ir Ir2 1 -0.00000000 0.00000000 13.23786838 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2IrMg
R-3m
166
trigonal
-3m
10,946.263084
false
[CIF] data_Dy2GaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06390137 _cell_length_b 5.06390137 _cell_length_c 5.06390137 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy2GaAs _chemical_formula_sum 'Dy2 Ga1 As1' _cell_volume 91.82072505 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.58071900 3.58071900 3.58071900 1 Dy Dy1 1 5.37107850 5.37107850 5.37107850 1 Dy Dy2 1 1.79035950 1.79035950 1.79035950 1 Ga Ga3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsDy2Ga
Fm-3m
225
cubic
m-3m
8,493.324413
false
[CIF] data_Hg2AsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79686683 _cell_length_b 3.79686683 _cell_length_c 5.37182392 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg2AsRu _chemical_formula_sum 'Hg2 As1 Ru1' _cell_volume 77.44127577 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 1.89843341 1.89843341 1.36199136 1 Hg Hg2 1 1.89843341 1.89843341 4.00983256 1 Ru Ru3 1 0.00000000 0.00000000 2.68591196 1 [/CIF]
AsHg2Ru
P4/mmm
123
tetragonal
4/mmm
12,376.035652
false
[CIF] data_VCdCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28479138 _cell_length_b 4.28479138 _cell_length_c 4.28479138 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCdCu _chemical_formula_sum 'V1 Cd1 Cu1' _cell_volume 55.62551524 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 4.54470756 4.54470756 4.54470756 1 Cu Cu1 1 1.51490252 1.51490252 1.51490252 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdCuV
F-43m
216
cubic
-43m
6,773.399253
false
[CIF] data_LaZrZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93050278 _cell_length_b 4.93050278 _cell_length_c 4.93050278 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZrZn _chemical_formula_sum 'La1 Zr1 Zn1' _cell_volume 84.75369204 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 1.74319597 1.74319598 1.74319598 1 Zn Zn1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 3.48639195 3.48639195 3.48639195 1 [/CIF]
LaZnZr
F-43m
216
cubic
-43m
5,789.777503
false
[CIF] data_Sr2NiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48703493 _cell_length_b 5.48703493 _cell_length_c 3.86223503 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2NiSn _chemical_formula_sum 'Sr2 Ni1 Sn1' _cell_volume 116.28244325 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 2.74351747 2.74351747 0.00000000 1 Sr Sr2 1 2.74351747 0.00000000 1.93111751 1 Sr Sr3 1 0.00000000 2.74351747 1.93111751 1 [/CIF]
NiSnSr2
P4/mmm
123
tetragonal
4/mmm
5,035.825924
false
[CIF] data_SnAsSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01879236 _cell_length_b 5.01879236 _cell_length_c 4.06552618 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.61742190 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnAsSe2 _chemical_formula_sum 'Sn1 As1 Se2' _cell_volume 97.60073488 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 2.96351144 -2.13661964 2.03276309 1 Se Se2 1 2.96351144 2.13661964 2.03276309 1 Sn Sn3 1 2.96351144 0.00000000 0.00000000 1 [/CIF]
AsSe2Sn
Cmmm
65
orthorhombic
mmm
5,981.949748
false
[CIF] data_Tl2SiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14928899 _cell_length_b 5.14928899 _cell_length_c 3.15715975 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.54477817 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2SiNi _chemical_formula_sum 'Tl2 Si1 Ni1' _cell_volume 81.02979893 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.15089247 0.00000000 0.00000000 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.57544624 2.03636034 1.57857987 1 Tl Tl3 1 1.57544624 -2.03636034 1.57857987 1 [/CIF]
NiSiTl2
Cmmm
65
orthorhombic
mmm
10,155.185782
false
[CIF] data_KSrCrFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41276694 _cell_length_b 5.41276694 _cell_length_c 5.41276694 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrCrFe _chemical_formula_sum 'K1 Sr1 Cr1 Fe1' _cell_volume 112.13546450 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.82740421 3.82740421 3.82740421 1 Fe Fe1 1 1.91370211 1.91370211 1.91370211 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 5.74110632 5.74110632 5.74110632 1 [/CIF]
CrFeKSr
F-43m
216
cubic
-43m
3,473.433216
false
[CIF] data_Be3Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52475672 _cell_length_b 4.52475672 _cell_length_c 3.61667838 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 116.82447867 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be3Co _chemical_formula_sum 'Be6 Co2' _cell_volume 66.07795052 _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 Be Be0 1 2.37008545 1.33053092 0.90416960 1 Be Be1 1 3.48855095 -0.69430027 0.90416960 1 Be Be2 1 1.25161994 -0.69430027 0.90416960 1 Be Be3 1 2.37008545 -1.33053092 2.71250879 1 Be Be4 1 1.25161994 0.69430027 2.71250879 1 Be Be5 1 3.48855095 0.69430027 2.71250879 1 Co Co6 1 2.37008545 -2.71034046 0.90416960 1 Co Co7 1 2.37008545 2.71034046 2.71250879 1 [/CIF]
Be6Co2
Cmcm
63
orthorhombic
mmm
4,320.839625
false
[CIF] data_Cd2BiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32023119 _cell_length_b 4.01999291 _cell_length_c 6.35819092 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2BiOs _chemical_formula_sum 'Cd2 Bi1 Os1' _cell_volume 84.86471882 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66011559 2.00999646 4.51738529 1 Cd Cd1 1 0.00000000 0.00000000 0.19447754 1 Cd Cd2 1 1.66011559 2.00999646 1.61919413 1 Os Os3 1 0.00000000 0.00000000 3.20622936 1 [/CIF]
BiCd2Os
Pmm2
25
orthorhombic
mm2
12,210.376626
false
[CIF] data_GaRe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91391787 _cell_length_b 3.91391787 _cell_length_c 3.91391787 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaRe3 _chemical_formula_sum 'Ga1 Re3' _cell_volume 59.95634148 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 0.00000000 1.95695894 1.95695894 1 Re Re2 1 1.95695894 0.00000000 1.95695894 1 Re Re3 1 1.95695894 1.95695894 0.00000000 1 [/CIF]
GaRe3
Pm-3m
221
cubic
m-3m
17,402.492106
false
[CIF] data_TiAlOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30702066 _cell_length_b 4.30702066 _cell_length_c 3.08349823 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAlOs2 _chemical_formula_sum 'Ti1 Al1 Os2' _cell_volume 57.20020871 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 0.00000000 2.15351033 1.54174912 1 Os Os2 1 2.15351033 0.00000000 1.54174912 1 Ti Ti3 1 2.15351033 2.15351033 0.00000000 1 [/CIF]
AlOs2Ti
P4/mmm
123
tetragonal
4/mmm
13,217.742255
false
[CIF] data_LaGaPd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42979798 _cell_length_b 5.42979798 _cell_length_c 5.42979798 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGaPd4 _chemical_formula_sum 'La1 Ga1 Pd4' _cell_volume 113.19728649 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 1.91972349 1.91972349 1.91972349 1 Pd Pd2 1 2.87354639 2.87354639 4.80534755 1 Pd Pd3 1 2.87354639 4.80534755 2.87354639 1 Pd Pd4 1 4.80534755 2.87354639 2.87354639 1 Pd Pd5 1 4.80534755 4.80534755 4.80534755 1 [/CIF]
GaLaPd4
F-43m
216
cubic
-43m
9,304.940316
false
[CIF] data_Ce2HoZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48571461 _cell_length_b 5.48571461 _cell_length_c 5.48571461 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2HoZn _chemical_formula_sum 'Ce2 Ho1 Zn1' _cell_volume 116.73057696 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 5.81847900 5.81847900 5.81847900 1 Ce Ce1 1 1.93949300 1.93949300 1.93949300 1 Ho Ho2 1 3.87898600 3.87898600 3.87898600 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ce2HoZn
Fm-3m
225
cubic
m-3m
7,262.668356
false
[CIF] data_MgScCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71092515 _cell_length_b 4.71092515 _cell_length_c 3.80491928 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgScCl2 _chemical_formula_sum 'Mg1 Sc1 Cl2' _cell_volume 84.44187260 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.35546258 0.00000000 1.90245964 1 Cl Cl1 1 0.00000000 2.35546258 1.90245964 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 2.35546258 2.35546258 0.00000000 1 [/CIF]
Cl2MgSc
P4/mmm
123
tetragonal
4/mmm
2,756.365131
false
[CIF] data_TaTi2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95966617 _cell_length_b 4.95966617 _cell_length_c 4.86340112 _cell_angle_alpha 101.03202915 _cell_angle_beta 101.03202915 _cell_angle_gamma 34.04037457 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTi2Si _chemical_formula_sum 'Ta1 Ti2 Si1' _cell_volume 65.61218632 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 4.23710365 0.00000000 2.39577676 1 Ta Ta1 1 1.53577821 0.00000000 3.47291560 1 Ti Ti2 1 -0.00010314 -0.00000000 0.01558523 1 Ti Ti3 1 6.99462892 -0.00000000 1.26325026 1 [/CIF]
SiTaTi2
Cm
8
monoclinic
m
7,713.17295
false
[CIF] data_Sr2PtSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74307229 _cell_length_b 3.75258324 _cell_length_c 7.52013056 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.89149951 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2PtSe _chemical_formula_sum 'Sr2 Pt1 Se1' _cell_volume 105.61639897 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 -0.05850276 0.00000000 3.75961013 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 1.83609662 1.87629162 1.87474538 1 Sr Sr3 1 1.78997015 1.87629162 5.64447488 1 [/CIF]
PtSeSr2
P2/m
10
monoclinic
2/m
7,063.804876
false
[CIF] data_HfSiPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17462727 _cell_length_b 5.17462727 _cell_length_c 5.17462727 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSiPb2 _chemical_formula_sum 'Hf1 Si1 Pb2' _cell_volume 97.97656739 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82950701 1.82950702 1.82950702 1 Pb Pb1 1 5.48852105 5.48852105 5.48852105 1 Pb Pb2 1 3.65901403 3.65901403 3.65901403 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfPb2Si
F-43m
216
cubic
-43m
10,524.496874
false
[CIF] data_ScCu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56639633 _cell_length_b 5.56639633 _cell_length_c 4.30376660 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCu3 _chemical_formula_sum 'Sc2 Cu6' _cell_volume 115.48553554 _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 Cu Cu0 1 2.78319816 3.32419924 1.07594165 1 Cu Cu1 1 0.00000000 1.49644139 3.22782495 1 Cu Cu2 1 1.29595626 0.74822069 1.07594165 1 Cu Cu3 1 1.48724191 4.07241993 3.22782495 1 Cu Cu4 1 -1.48724191 4.07241993 3.22782495 1 Cu Cu5 1 4.27044007 0.74822069 1.07594165 1 Sc Sc6 1 0.00000000 3.21376042 1.07594165 1 Sc Sc7 1 2.78319816 1.60688021 3.22782495 1 [/CIF]
Cu6Sc2
P6_3/mmc
194
hexagonal
6/mmm
6,783.30517
false
[CIF] data_Rb3ReTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43940121 _cell_length_b 6.43940121 _cell_length_c 6.43940121 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb3ReTc _chemical_formula_sum 'Rb3 Re1 Tc1' _cell_volume 267.01548900 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.21970060 3.21970060 3.21970060 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 Rb Rb2 1 0.00000000 3.21970060 0.00000000 1 Rb Rb3 1 0.00000000 0.00000000 3.21970060 1 Rb Rb4 1 3.21970060 0.00000000 0.00000000 1 [/CIF]
Rb3ReTc
Pm-3m
221
cubic
m-3m
3,367.630368
false
[CIF] data_LaCoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94623372 _cell_length_b 5.94623372 _cell_length_c 5.94623372 _cell_angle_alpha 55.14788161 _cell_angle_beta 55.14788161 _cell_angle_gamma 55.14788161 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCoO3 _chemical_formula_sum 'La2 Co2 O6' _cell_volume 131.89248309 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 5.21203101 1 Co Co1 1 -0.00000000 0.00000000 9.86464627 1 La La2 1 -0.00000000 -0.00000000 1.88877703 1 La La3 1 -0.00000000 -0.00000000 13.18790025 1 O O4 1 -1.16020092 -1.31684869 6.18234349 1 O O5 1 1.72052488 -0.34633912 6.18234349 1 O O6 1 -0.56032396 1.66318781 6.18234349 1 O O7 1 0.56032396 -1.66318781 8.89433379 1 O O8 1 -1.72052488 0.34633912 8.89433379 1 O O9 1 1.16020092 1.31684869 8.89433379 1 [/CIF]
Co2La2O6
R-3
148
trigonal
-3
6,190.219536
false
[CIF] data_CuAgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60826584 _cell_length_b 4.60826584 _cell_length_c 3.37230186 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuAgPb _chemical_formula_sum 'Cu1 Ag1 Pb1' _cell_volume 62.02005144 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.66058353 0.37811655 1 Cu Cu1 1 0.00000000 0.00000000 0.89599312 1 Pb Pb2 1 2.30413289 1.33029177 2.09819223 1 [/CIF]
AgCuPb
P3m1
156
trigonal
3m
10,137.103329
false
[CIF] data_BaNF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05624329 _cell_length_b 5.05624329 _cell_length_c 5.05624329 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNF3 _chemical_formula_sum 'Ba1 N1 F3' _cell_volume 129.26587428 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.52812165 2.52812165 2.52812165 1 F F1 1 0.00000000 2.52812165 2.52812165 1 F F2 1 2.52812165 0.00000000 2.52812165 1 F F3 1 2.52812165 2.52812165 0.00000000 1 N N4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaF3N
Pm-3m
221
cubic
m-3m
2,676.176485
false
[CIF] data_Al2RuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88662941 _cell_length_b 2.88662941 _cell_length_c 8.33787586 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.37732638 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2RuAu _chemical_formula_sum 'Al2 Ru1 Au1' _cell_volume 62.77229875 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54295996 -0.00000000 1.92063921 1 Al Al1 1 1.54295996 -0.00000000 6.41723665 1 Au Au2 1 0.00000000 0.00000000 4.16893793 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2AuRu
Cmmm
65
orthorhombic
mmm
9,311.578126
false
[CIF] data_KHfZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17382491 _cell_length_b 3.17382491 _cell_length_c 9.42559049 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfZn2 _chemical_formula_sum 'K1 Hf1 Zn2' _cell_volume 94.94552395 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58691245 1.58691245 3.92789343 1 K K1 1 0.00000000 0.00000000 7.35046380 1 Zn Zn2 1 1.58691245 1.58691245 0.68998310 1 Zn Zn3 1 0.00000000 0.00000000 2.17004540 1 [/CIF]
HfKZn2
P4mm
99
tetragonal
4mm
6,092.422315
false
[CIF] data_Pu2HgSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33946654 _cell_length_b 5.33946654 _cell_length_c 5.33946654 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pu2HgSb _chemical_formula_sum 'Pu2 Hg1 Sb1' _cell_volume 107.64121984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pu Pu0 1 5.66335950 5.66335950 5.66335950 1 Pu Pu1 1 1.88778650 1.88778650 1.88778650 1 Hg Hg2 1 3.77557300 3.77557300 3.77557300 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgPu2Sb
Fm-3m
225
cubic
m-3m
12,500.953024
false
[CIF] data_YFeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39862478 _cell_length_b 4.39862478 _cell_length_c 3.49018895 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YFeP2 _chemical_formula_sum 'Y1 Fe1 P2' _cell_volume 67.52782663 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 0.00000000 2.19931239 1.74509447 1 P P2 1 2.19931239 0.00000000 1.74509447 1 Y Y3 1 2.19931239 2.19931239 0.00000000 1 [/CIF]
FeP2Y
P4/mmm
123
tetragonal
4/mmm
5,082.804263
false
[CIF] data_GaIrPdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41462656 _cell_length_b 4.41462656 _cell_length_c 4.41462656 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaIrPdW _chemical_formula_sum 'Ga1 Ir1 Pd1 W1' _cell_volume 60.83687799 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 3.12161238 3.12161238 3.12161238 1 Pd Pd2 1 1.56080619 1.56080619 1.56080619 1 W W3 1 4.68241857 4.68241857 4.68241857 1 [/CIF]
GaIrPdW
F-43m
216
cubic
-43m
15,072.267067
false
[CIF] data_Gd3Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83523578 _cell_length_b 6.83523578 _cell_length_c 5.78506617 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd3Cl _chemical_formula_sum 'Gd6 Cl2' _cell_volume 234.07011211 _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 3.94632522 1.44626654 1 Cl Cl1 1 3.41761789 1.97316261 4.33879963 1 Gd Gd2 1 -0.00000000 1.95248340 4.33879963 1 Gd Gd3 1 1.72671766 4.94324613 4.33879963 1 Gd Gd4 1 -1.72671766 4.94324613 4.33879963 1 Gd Gd5 1 3.41761789 3.96700442 1.44626654 1 Gd Gd6 1 1.69090023 0.97624170 1.44626654 1 Gd Gd7 1 5.14433555 0.97624170 1.44626654 1 [/CIF]
Cl2Gd6
P6_3/mmc
194
hexagonal
6/mmm
7,196.394084
false
[CIF] data_ScOsPbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77773008 _cell_length_b 4.77773008 _cell_length_c 4.77773008 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScOsPbAu _chemical_formula_sum 'Sc1 Os1 Pb1 Au1' _cell_volume 77.11694812 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68918267 1.68918267 1.68918267 1 Os Os1 1 5.06754801 5.06754801 5.06754801 1 Pb Pb2 1 3.37836534 3.37836534 3.37836534 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuOsPbSc
F-43m
216
cubic
-43m
13,767.009689
false
[CIF] data_SrLiSc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61725140 _cell_length_b 3.61725140 _cell_length_c 9.02358612 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLiSc2 _chemical_formula_sum 'Sr1 Li1 Sc2' _cell_volume 118.06918210 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.17461326 1 Sc Sc1 1 1.80862570 1.80862570 8.97579008 1 Sc Sc2 1 0.00000000 0.00000000 1.82590163 1 Sr Sr3 1 1.80862570 1.80862570 4.58266034 1 [/CIF]
LiSc2Sr
P4mm
99
tetragonal
4mm
2,594.473536
false
[CIF] data_YCr2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42851125 _cell_length_b 5.42851125 _cell_length_c 5.42851125 _cell_angle_alpha 139.90501610 _cell_angle_beta 139.90501610 _cell_angle_gamma 57.99754648 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCr2W _chemical_formula_sum 'Y1 Cr2 W1' _cell_volume 65.76662307 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86088784 2.37396963 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.86088784 -0.00000000 2.37396964 1 Y Y3 1 0.00000000 0.00000000 4.74793927 1 [/CIF]
Cr2WY
I-4m2
119
tetragonal
-42m
9,512.24528
false
[CIF] data_NbCu2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.12915947 _cell_length_b 9.12915947 _cell_length_c 9.12915947 _cell_angle_alpha 17.06282801 _cell_angle_beta 17.06282801 _cell_angle_gamma 17.06282801 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCu2Ir _chemical_formula_sum 'Nb1 Cu2 Ir1' _cell_volume 57.14790863 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.66941392 1 Cu Cu1 1 -0.00000000 0.00000000 20.31323963 1 Ir Ir2 1 -0.00000000 -0.00000000 13.49132678 1 Nb Nb3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Cu2IrNb
R-3m
166
trigonal
-3m
11,977.686656
false
[CIF] data_SrHfZrRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03477113 _cell_length_b 5.03477113 _cell_length_c 5.03477113 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHfZrRe _chemical_formula_sum 'Sr1 Hf1 Zr1 Re1' _cell_volume 90.24521890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.34018122 5.34018122 5.34018122 1 Re Re1 1 1.78006041 1.78006041 1.78006041 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.56012081 3.56012081 3.56012081 1 [/CIF]
HfReSrZr
F-43m
216
cubic
-43m
10,001.317253
false
[CIF] data_Sc2NbNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06203818 _cell_length_b 3.06203818 _cell_length_c 8.15866089 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2NbNi _chemical_formula_sum 'Sc2 Nb1 Ni1' _cell_volume 76.49623938 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53101909 1.53101909 4.43121324 1 Ni Ni1 1 0.00000000 0.00000000 5.97529203 1 Sc Sc2 1 1.53101909 1.53101909 7.67260761 1 Sc Sc3 1 0.00000000 0.00000000 2.31753926 1 [/CIF]
NbNiSc2
P4mm
99
tetragonal
4mm
5,242.603515
false
[CIF] data_TcPdW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80827610 _cell_length_b 4.80827610 _cell_length_c 4.90934723 _cell_angle_alpha 98.58768065 _cell_angle_beta 98.58768065 _cell_angle_gamma 33.38706627 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcPdW2 _chemical_formula_sum 'Tc1 Pd1 W2' _cell_volume 61.69550683 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.22296484 -0.00000000 2.42466270 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 6.72805083 -0.00000000 1.21372083 1 W W3 1 1.71787884 0.00000000 3.63560458 1 [/CIF]
PdTcW2
C2/m
12
monoclinic
2/m
15,422.503671
false
[CIF] data_HfZnRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47588638 _cell_length_b 4.25801298 _cell_length_c 4.34469489 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZnRe2 _chemical_formula_sum 'Hf1 Zn1 Re2' _cell_volume 64.30308897 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73794319 2.12900649 0.00000000 1 Re Re1 1 1.73794319 0.00000000 2.17234745 1 Re Re2 1 0.00000000 2.12900649 2.17234745 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfRe2Zn
Pmmm
47
orthorhombic
mmm
15,914.688929
false
[CIF] data_YNiOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87070356 _cell_length_b 3.84767043 _cell_length_c 6.00178456 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNiOs2 _chemical_formula_sum 'Y1 Ni1 Os2' _cell_volume 66.29283860 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.66621386 1 Os Os1 1 1.43535178 1.92383521 0.09230247 1 Os Os2 1 0.00000000 0.00000000 1.16114083 1 Y Y3 1 1.43535178 1.92383521 3.08301968 1 [/CIF]
NiOs2Y
Pmm2
25
orthorhombic
mm2
13,227.115215
false
[CIF] data_Cd3Cu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21081489 _cell_length_b 5.21081489 _cell_length_c 5.21081489 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd3Cu4 _chemical_formula_sum 'Cd3 Cu4' _cell_volume 141.48712975 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.60540744 0.00000000 1 Cd Cd1 1 0.00000000 0.00000000 2.60540744 1 Cd Cd2 1 2.60540744 0.00000000 0.00000000 1 Cu Cu3 1 0.00000000 0.00000000 0.00000000 1 Cu Cu4 1 0.00000000 2.60540744 2.60540744 1 Cu Cu5 1 2.60540744 0.00000000 2.60540744 1 Cu Cu6 1 2.60540744 2.60540744 0.00000000 1 [/CIF]
Cd3Cu4
Pm-3m
221
cubic
m-3m
6,941.06266
false
[CIF] data_MgTaCoTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38339953 _cell_length_b 4.38339953 _cell_length_c 4.38339953 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTaCoTc _chemical_formula_sum 'Mg1 Ta1 Co1 Tc1' _cell_volume 59.55499210 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 3.09953153 3.09953153 3.09953153 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.54976576 1.54976576 1.54976577 1 Tc Tc3 1 4.64929730 4.64929730 4.64929730 1 [/CIF]
CoMgTaTc
F-43m
216
cubic
-43m
10,123.902063
false
[CIF] data_NaTaBeSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73903958 _cell_length_b 4.73903958 _cell_length_c 4.73903958 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTaBeSn _chemical_formula_sum 'Na1 Ta1 Be1 Sn1' _cell_volume 75.25857808 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 1.67550351 1.67550351 1.67550351 1 Sn Sn2 1 5.02651053 5.02651053 5.02651053 1 Ta Ta3 1 3.35100702 3.35100702 3.35100702 1 [/CIF]
BeNaSnTa
F-43m
216
cubic
-43m
7,317.891471
false
[CIF] data_BaTiPbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33032686 _cell_length_b 5.33032686 _cell_length_c 5.33032686 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTiPbAu _chemical_formula_sum 'Ba1 Ti1 Pb1 Au1' _cell_volume 107.08941004 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88455513 1.88455513 1.88455514 1 Ba Ba1 1 5.65366540 5.65366540 5.65366540 1 Pb Pb2 1 3.76911027 3.76911027 3.76911027 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBaPbTi
F-43m
216
cubic
-43m
9,138.683729
false
[CIF] data_CuRhW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21376391 _cell_length_b 3.21376391 _cell_length_c 5.67101677 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuRhW2 _chemical_formula_sum 'Cu1 Rh1 W2' _cell_volume 58.57184040 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.84144208 1 Rh Rh1 1 1.60688196 1.60688196 4.17943864 1 W W2 1 0.00000000 0.00000000 0.00150117 1 W W3 1 1.60688196 1.60688196 1.48414320 1 [/CIF]
CuRhW2
P4mm
99
tetragonal
4mm
15,142.877812
false
[CIF] data_FeMo2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68476126 _cell_length_b 2.68476126 _cell_length_c 8.57797582 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.21336068 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeMo2Os _chemical_formula_sum 'Fe1 Mo2 Os1' _cell_volume 58.38563301 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55497648 0.00000000 2.06560660 1 Mo Mo2 1 1.55497648 0.00000000 6.51236922 1 Os Os3 1 0.00000000 0.00000000 4.28898791 1 [/CIF]
FeMo2Os
Cmmm
65
orthorhombic
mmm
12,456.96537
false
[CIF] data_BeHg2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14293910 _cell_length_b 5.14293910 _cell_length_c 5.14293910 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeHg2Te _chemical_formula_sum 'Be1 Hg2 Te1' _cell_volume 96.18761273 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81830356 1.81830356 1.81830356 1 Hg Hg2 1 5.45491067 5.45491067 5.45491067 1 Te Te3 1 3.63660711 3.63660711 3.63660711 1 [/CIF]
BeHg2Te
Fm-3m
225
cubic
m-3m
9,284.198897
false
[CIF] data_Cu4Bi7S12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.44370314 _cell_length_b 9.44370314 _cell_length_c 15.22347288 _cell_angle_alpha 102.20747259 _cell_angle_beta 102.20747259 _cell_angle_gamma 24.11223853 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu4Bi7S12 _chemical_formula_sum 'Cu4 Bi7 S12' _cell_volume 541.52750189 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.86358452 -0.00000000 7.58329705 1 Cu Cu1 1 9.31559148 -0.00000000 7.28005495 1 Cu Cu2 1 3.57123357 -0.00000000 12.80239961 1 Cu Cu3 1 11.60794243 -0.00000000 2.06095239 1 Bi Bi4 1 0.00000000 0.00000000 0.00000000 1 Bi Bi5 1 12.00602963 -0.00000000 9.35092119 1 Bi Bi6 1 3.17314637 -0.00000000 5.51243081 1 Bi Bi7 1 -2.21463811 -0.00000000 10.70268360 1 Bi Bi8 1 17.39381411 -0.00000000 4.16066840 1 Bi Bi9 1 9.39887264 -0.00000000 13.54284722 1 Bi Bi10 1 5.78030336 -0.00000000 1.32050478 1 S S11 1 13.83661350 -0.00000000 7.46290390 1 S S12 1 1.34256250 -0.00000000 7.40044810 1 S S13 1 7.70635716 -0.00000000 9.02780678 1 S S14 1 7.47281884 -0.00000000 5.83554522 1 S S15 1 4.12399865 0.00000000 10.63609578 1 S S16 1 11.05517735 -0.00000000 4.22725622 1 S S17 1 0.32908714 -0.00000000 11.64015980 1 S S18 1 14.85008886 -0.00000000 3.22319220 1 S S19 1 6.67373332 -0.00000000 13.01469287 1 S S20 1 8.50544268 -0.00000000 1.84865913 1 S S21 1 12.41631158 -0.00000000 13.95924402 1 S S22 1 2.76286442 -0.00000000 0.90410798 1 [/CIF]
Bi7Cu4S12
C2/m
12
monoclinic
2/m
6,445.038341
false
[CIF] data_Sr2MnTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63558731 _cell_length_b 8.63558731 _cell_length_c 8.63558731 _cell_angle_alpha 30.36745793 _cell_angle_beta 30.36745793 _cell_angle_gamma 30.36745793 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2MnTe _chemical_formula_sum 'Sr2 Mn1 Te1' _cell_volume 145.86731310 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 -0.00000000 0.00000000 18.57528478 1 Sr Sr2 1 -0.00000000 -0.00000000 6.11827586 1 Te Te3 1 -0.00000000 -0.00000000 12.34678032 1 [/CIF]
MnSr2Te
R-3m
166
trigonal
-3m
4,072.909878
false
[CIF] data_CuRuAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72223664 _cell_length_b 3.96548791 _cell_length_c 5.80617678 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.45838837 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuRuAu2 _chemical_formula_sum 'Cu1 Ru1 Au2' _cell_volume 62.65735498 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.29466523 1.98274395 4.37809805 1 Au Au1 1 1.27979882 1.98274395 1.42619795 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 -0.07388630 0.00000000 2.90214800 1 [/CIF]
Au2CuRu
P2/m
10
monoclinic
2/m
14,802.614386
false
[CIF] data_Ba2TlRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70469644 _cell_length_b 5.70469644 _cell_length_c 5.70469644 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TlRh _chemical_formula_sum 'Ba2 Tl1 Rh1' _cell_volume 131.27517939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.05074430 6.05074430 6.05074430 1 Ba Ba1 1 2.01691477 2.01691477 2.01691477 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 4.03382954 4.03382954 4.03382954 1 [/CIF]
Ba2RhTl
Fm-3m
225
cubic
m-3m
7,361.30095
false
[CIF] data_MgMo2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21934794 _cell_length_b 3.21934794 _cell_length_c 6.50817601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMo2As _chemical_formula_sum 'Mg1 Mo2 As1' _cell_volume 67.45204534 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.25408801 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 1.60967397 1.60967397 1.94909602 1 Mo Mo3 1 1.60967397 1.60967397 4.55907999 1 [/CIF]
AsMgMo2
P4/mmm
123
tetragonal
4/mmm
7,167.466916
false
[CIF] data_Er2AlCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98674476 _cell_length_b 4.98674476 _cell_length_c 4.98674476 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2AlCu _chemical_formula_sum 'Er2 Al1 Cu1' _cell_volume 87.68724435 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.52616104 3.52616104 3.52616104 1 Er Er2 1 1.76308052 1.76308052 1.76308052 1 Er Er3 1 5.28924155 5.28924155 5.28924155 1 [/CIF]
AlCuEr2
Fm-3m
225
cubic
m-3m
8,049.115093
false
[CIF] data_TiBe4Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68751330 _cell_length_b 4.68751330 _cell_length_c 4.68751330 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBe4Sn _chemical_formula_sum 'Ti1 Be4 Sn1' _cell_volume 72.83037407 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.17801489 4.17801489 2.45112999 1 Be Be1 1 4.17801489 2.45112999 4.17801489 1 Be Be2 1 2.45112999 4.17801489 4.17801489 1 Be Be3 1 2.45112999 2.45112999 2.45112999 1 Sn Sn4 1 4.97185866 4.97185866 4.97185866 1 Ti Ti5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be4SnTi
F-43m
216
cubic
-43m
4,619.884788
false
[CIF] data_He _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.36877244 _cell_length_b 2.36877244 _cell_length_c 2.36877244 _cell_angle_alpha 69.67890769 _cell_angle_beta 69.67890769 _cell_angle_gamma 69.67890769 _symmetry_Int_Tables_number 1 _chemical_formula_structural He _chemical_formula_sum He1 _cell_volume 11.29340900 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy He He0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
He
R-3m
166
trigonal
-3m
588.527066
false
[CIF] data_MgScBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45249406 _cell_length_b 4.45249406 _cell_length_c 4.45249406 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgScBe _chemical_formula_sum 'Mg1 Sc1 Be1' _cell_volume 62.41587269 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 1.57419437 1.57419437 1.57419437 1 Sc Sc2 1 3.14838874 3.14838874 3.14838874 1 [/CIF]
BeMgSc
F-43m
216
cubic
-43m
2,082.41149
false
[CIF] data_TaAlFeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42419437 _cell_length_b 4.42419437 _cell_length_c 4.42419437 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAlFeAu _chemical_formula_sum 'Ta1 Al1 Fe1 Au1' _cell_volume 61.23329057 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 4.69256676 4.69256676 4.69256676 1 Fe Fe2 1 3.12837784 3.12837784 3.12837784 1 Ta Ta3 1 1.56418892 1.56418892 1.56418892 1 [/CIF]
AlAuFeTa
F-43m
216
cubic
-43m
12,494.484656
false
[CIF] data_LiBTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28904863 _cell_length_b 4.28904863 _cell_length_c 4.28904863 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBTe _chemical_formula_sum 'Li1 B1 Te1' _cell_volume 55.79148393 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51640769 1.51640769 1.51640769 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 3.03281537 3.03281537 3.03281537 1 [/CIF]
BLiTe
F-43m
216
cubic
-43m
4,326.156206
false
[CIF] data_BaFeHgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05715123 _cell_length_b 5.05715123 _cell_length_c 5.05715123 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaFeHgMo _chemical_formula_sum 'Ba1 Fe1 Hg1 Mo1' _cell_volume 91.45402540 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78797297 1.78797297 1.78797297 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 3.57594593 3.57594593 3.57594593 1 Mo Mo3 1 5.36391890 5.36391890 5.36391890 1 [/CIF]
BaFeHgMo
F-43m
216
cubic
-43m
8,891.926946
false