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_MoSeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08445782 _cell_length_b 5.08445782 _cell_length_c 6.76033660 _cell_angle_alpha 110.30790953 _cell_angle_beta 110.30790953 _cell_angle_gamma 35.88855609 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoSeCl2 _chemical_formula_sum 'Mo1 Se1 Cl2' _cell_volume 95.38916225 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -2.25862257 0.00000000 5.81259048 1 Cl Cl1 1 7.36416187 0.00000000 2.07989129 1 Mo Mo2 1 3.07359308 0.00000000 3.93924435 1 Se Se3 1 0.16665626 -0.00000000 3.90433786 1 [/CIF]
Cl2MoSe
Cm
8
monoclinic
m
4,279.350683
false
[CIF] data_MnPRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93669242 _cell_length_b 4.93669242 _cell_length_c 4.93669242 _cell_angle_alpha 146.91463902 _cell_angle_beta 146.91463902 _cell_angle_gamma 47.49018972 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnPRu _chemical_formula_sum 'Mn1 P1 Ru1' _cell_volume 35.71234868 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.83488189 1 P P1 1 0.00000000 0.00000000 3.09752418 1 Ru Ru2 1 0.00000000 0.00000000 6.14271969 1 [/CIF]
MnPRu
I4mm
107
tetragonal
4mm
8,694.208215
false
[CIF] data_K2YTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19639967 _cell_length_b 7.19639967 _cell_length_c 7.19639967 _cell_angle_alpha 145.16351394 _cell_angle_beta 145.16351394 _cell_angle_gamma 50.09091838 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2YTc _chemical_formula_sum 'K2 Y1 Tc1' _cell_volume 121.02178767 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15420344 -0.00000000 3.25986899 1 K K1 1 -0.00000000 2.15420344 3.25986899 1 Tc Tc2 1 0.00000000 -0.00000000 6.51973798 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2TcY
I4/mmm
139
tetragonal
4/mmm
3,649.902748
false
[CIF] data_Mn2OsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25430098 _cell_length_b 4.25430098 _cell_length_c 3.00117018 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2OsAu _chemical_formula_sum 'Mn2 Os1 Au1' _cell_volume 54.31840966 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.12715049 2.12715049 0.00000000 1 Mn Mn1 1 2.12715049 0.00000000 1.50058509 1 Mn Mn2 1 0.00000000 2.12715049 1.50058509 1 Os Os3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuMn2Os
P4/mmm
123
tetragonal
4/mmm
15,195.742554
false
[CIF] data_CaTlPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81798115 _cell_length_b 4.81798115 _cell_length_c 4.81798115 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTlPd _chemical_formula_sum 'Ca1 Tl1 Pd1' _cell_volume 79.08248191 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 5.11024071 5.11024071 5.11024071 1 Tl Tl2 1 3.40682714 3.40682714 3.40682714 1 [/CIF]
CaPdTl
F-43m
216
cubic
-43m
7,367.650741
false
[CIF] data_CaTlVZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97327523 _cell_length_b 4.97327523 _cell_length_c 4.97327523 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTlVZn _chemical_formula_sum 'Ca1 Tl1 V1 Zn1' _cell_volume 86.97861458 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tl Tl1 1 3.51663664 3.51663664 3.51663664 1 V V2 1 1.75831832 1.75831832 1.75831832 1 Zn Zn3 1 5.27495496 5.27495496 5.27495496 1 [/CIF]
CaTlVZn
F-43m
216
cubic
-43m
6,887.830265
false
[CIF] data_MgNb4Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62493006 _cell_length_b 5.62493006 _cell_length_c 5.62493006 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNb4Pb _chemical_formula_sum 'Mg1 Nb4 Pb1' _cell_volume 125.84512108 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 4.97713031 4.97713031 2.97772207 1 Nb Nb2 1 4.97713031 2.97772207 4.97713031 1 Nb Nb3 1 2.97772207 4.97713031 4.97713031 1 Nb Nb4 1 2.97772207 2.97772207 2.97772207 1 Pb Pb5 1 5.96613929 5.96613929 5.96613929 1 [/CIF]
MgNb4Pb
F-43m
216
cubic
-43m
7,958.368049
false
[CIF] data_SiTcRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80051494 _cell_length_b 2.80051494 _cell_length_c 6.95858946 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiTcRh2 _chemical_formula_sum 'Si1 Tc1 Rh2' _cell_volume 54.57540933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 1.40025747 1.40025747 5.46607911 1 Rh Rh1 1 1.40025747 1.40025747 1.49251035 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 0.00000000 0.00000000 3.47929473 1 [/CIF]
Rh2SiTc
P4/mmm
123
tetragonal
4/mmm
10,126.049771
false
[CIF] data_ZrZnW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59203090 _cell_length_b 4.59203090 _cell_length_c 4.59203090 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrZnW2 _chemical_formula_sum 'Zr1 Zn1 W2' _cell_volume 68.46985502 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy W W0 1 3.24705619 3.24705619 3.24705619 1 W W1 1 4.87058429 4.87058429 4.87058429 1 Zn Zn2 1 -0.00000000 -0.00000000 0.00000000 1 Zr Zr3 1 1.62352810 1.62352810 1.62352810 1 [/CIF]
W2ZnZr
F-43m
216
cubic
-43m
12,715.019292
false
[CIF] data_La2S3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.62692355 _cell_length_b 7.62692355 _cell_length_c 7.62692355 _cell_angle_alpha 57.51242760 _cell_angle_beta 57.51242760 _cell_angle_gamma 57.51242760 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2S3 _chemical_formula_sum 'La4 S6' _cell_volume 295.76619321 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 16.27465141 1 La La1 1 0.00000000 -0.00000000 12.26377898 1 La La2 1 -0.00000000 -0.00000000 6.76184128 1 La La3 1 0.00000000 0.00000000 2.75096885 1 S S4 1 1.53242205 2.11840768 11.09827849 1 S S5 1 1.06838384 -2.38632026 11.09827849 1 S S6 1 -2.60080589 0.26791258 11.09827849 1 S S7 1 2.60080589 -0.26791258 7.92734178 1 S S8 1 -1.06838384 2.38632026 7.92734178 1 S S9 1 -1.53242205 -2.11840768 7.92734178 1 [/CIF]
La4S6
R-3c
167
trigonal
-3m
4,199.610883
false
[CIF] data_GaBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.85765900 _cell_length_b 10.50955900 _cell_length_c 10.73724800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaBr2 _chemical_formula_sum 'Ga8 Br16' _cell_volume 886.68763984 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96441475 0.00000000 2.00473010 1 Ga Ga1 1 1.96441475 5.25477950 3.36389390 1 Ga Ga2 1 5.89324425 0.00000000 8.73251790 1 Ga Ga3 1 5.89324425 5.25477950 7.37335410 1 Ga Ga4 1 4.70209386 2.62738975 2.68431200 1 Ga Ga5 1 7.08439464 7.88216925 2.68431200 1 Ga Ga6 1 3.15556514 7.88216925 8.05293600 1 Ga Ga7 1 0.77326436 2.62738975 8.05293600 1 Br Br8 1 2.51672174 1.89511521 0.68082742 1 Br Br9 1 2.51672174 3.35966429 4.68779658 1 Br Br10 1 1.41210776 7.14989471 4.68779658 1 Br Br11 1 1.41210776 8.61444379 0.68082742 1 Br Br12 1 5.34093726 8.61444379 10.05642058 1 Br Br13 1 5.34093726 7.14989471 6.04945142 1 Br Br14 1 6.44555124 3.35966429 6.04945142 1 Br Br15 1 6.44555124 1.89511521 10.05642058 1 Br Br16 1 0.04439577 0.36170749 3.33738364 1 Br Br17 1 0.04439577 4.89307201 2.03124036 1 Br Br18 1 3.88443373 5.61648699 2.03124036 1 Br Br19 1 3.88443373 10.14785151 3.33738364 1 Br Br20 1 7.81326323 10.14785151 7.39986436 1 Br Br21 1 7.81326323 5.61648699 8.70600764 1 Br Br22 1 3.97322527 4.89307201 8.70600764 1 Br Br23 1 3.97322527 0.36170749 7.39986436 1 [/CIF]
Br16Ga8
Pnna
52
orthorhombic
mmm
3,438.822651
false
[CIF] data_LiNbTlTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60180412 _cell_length_b 4.60180412 _cell_length_c 4.60180412 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNbTlTc _chemical_formula_sum 'Li1 Nb1 Tl1 Tc1' _cell_volume 68.90795927 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 3.25396690 3.25396690 3.25396690 1 Tc Tc2 1 1.62698345 1.62698345 1.62698345 1 Tl Tl3 1 4.88095035 4.88095035 4.88095035 1 [/CIF]
LiNbTcTl
F-43m
216
cubic
-43m
9,714.763657
false
[CIF] data_KNiOsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53781125 _cell_length_b 4.53781125 _cell_length_c 4.53781125 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNiOsW _chemical_formula_sum 'K1 Ni1 Os1 W1' _cell_volume 66.07303953 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 4.81307567 4.81307567 4.81307566 1 Os Os2 1 1.60435855 1.60435855 1.60435855 1 W W3 1 3.20871711 3.20871711 3.20871711 1 [/CIF]
KNiOsW
F-43m
216
cubic
-43m
11,858.767092
false
[CIF] data_MnVMoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45724323 _cell_length_b 4.45724323 _cell_length_c 4.45724323 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnVMoPb _chemical_formula_sum 'Mn1 V1 Mo1 Pb1' _cell_volume 62.61580997 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.15174691 3.15174691 3.15174691 1 Mo Mo1 1 1.57587345 1.57587345 1.57587345 1 Pb Pb2 1 4.72762036 4.72762036 4.72762036 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MnMoPbV
F-43m
216
cubic
-43m
10,847.518295
false
[CIF] data_IrPbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10171165 _cell_length_b 3.73120403 _cell_length_c 5.20928980 _cell_angle_alpha 90.00000000 _cell_angle_beta 112.57913709 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrPbSe2 _chemical_formula_sum 'Ir1 Pb1 Se2' _cell_volume 91.56085084 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 1.55077863 0.00000000 2.40499910 1 Se Se2 1 3.73098081 1.86560202 0.88657872 1 Se Se3 1 -0.62942356 1.86560202 3.92341948 1 [/CIF]
IrPbSe2
P2/m
10
monoclinic
2/m
10,107.811945
false
[CIF] data_HfMnNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72490620 _cell_length_b 3.64697810 _cell_length_c 5.33503914 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMnNi2 _chemical_formula_sum 'Hf1 Mn1 Ni2' _cell_volume 53.01787564 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.66751957 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 1.36245310 1.82348905 1.18768780 1 Ni Ni3 1 1.36245310 1.82348905 4.14735134 1 [/CIF]
HfMnNi2
Pmmm
47
orthorhombic
mmm
10,987.99613
false
[CIF] data_LaSbIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31864140 _cell_length_b 4.13791846 _cell_length_c 6.20198596 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSbIr2 _chemical_formula_sum 'La1 Sb1 Ir2' _cell_volume 85.16733030 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65932070 2.06895923 6.00564144 1 Ir Ir1 1 0.00000000 0.00000000 1.51886928 1 La La2 1 1.65932070 2.06895923 2.84946679 1 Sb Sb3 1 0.00000000 0.00000000 5.13098733 1 [/CIF]
Ir2LaSb
Pmm2
25
orthorhombic
mm2
12,577.74393
false
[CIF] data_MnPbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85975199 _cell_length_b 4.85975199 _cell_length_c 4.85975199 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnPbAu2 _chemical_formula_sum 'Mn1 Pb1 Au2' _cell_volume 81.15724991 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71818180 1.71818179 1.71818180 1 Au Au1 1 5.15454539 5.15454539 5.15454538 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 3.43636359 3.43636359 3.43636359 1 [/CIF]
Au2MnPb
Fm-3m
225
cubic
m-3m
13,423.715455
false
[CIF] data_CaCoMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83437571 _cell_length_b 4.10702083 _cell_length_c 6.35946358 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.17234743 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCoMo2 _chemical_formula_sum 'Ca1 Co1 Mo2' _cell_volume 72.62654956 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.81160098 0.00000000 3.19568788 1 Co Co1 1 -0.32815119 2.05351041 5.08778990 1 Mo Mo2 1 1.55619376 0.00000000 6.17279910 1 Mo Mo3 1 1.96575742 2.05351041 1.14108314 1 [/CIF]
CaCoMo2
Pm
6
monoclinic
m
6,651.873425
false
[CIF] data_KBeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82706382 _cell_length_b 2.82706382 _cell_length_c 8.07771212 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBeMo _chemical_formula_sum 'K1 Be1 Mo1' _cell_volume 55.91009489 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.75166771 1 K K1 1 0.00000000 1.63220606 2.62749146 1 Mo Mo2 1 1.41353191 0.81610303 5.77626507 1 [/CIF]
BeKMo
P3m1
156
trigonal
3m
4,278.91715
false
[CIF] data_Cd2GaIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78199823 _cell_length_b 4.78199823 _cell_length_c 3.18856226 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2GaIr _chemical_formula_sum 'Cd2 Ga1 Ir1' _cell_volume 72.91447003 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 2.39099912 0.00000000 1.59428113 1 Cd Cd1 1 0.00000000 2.39099912 1.59428113 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Ir Ir3 1 2.39099912 2.39099912 0.00000000 1 [/CIF]
Cd2GaIr
P4/mmm
123
tetragonal
4/mmm
11,085.417158
false
[CIF] data_Zn4InAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35391010 _cell_length_b 5.35391010 _cell_length_c 5.35391010 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn4InAs _chemical_formula_sum 'Zn4 In1 As1' _cell_volume 108.51711180 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 5.67867921 5.67867921 5.67867921 1 Zn Zn2 1 4.73280016 2.83877212 4.73280016 1 Zn Zn3 1 2.83877212 4.73280016 4.73280016 1 Zn Zn4 1 2.83877212 2.83877212 2.83877212 1 Zn Zn5 1 4.73280016 4.73280016 2.83877212 1 [/CIF]
AsInZn4
F-43m
216
cubic
-43m
6,905.216906
false
[CIF] data_TiMoIrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63410699 _cell_length_b 4.63410699 _cell_length_c 4.63410699 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMoIrPb _chemical_formula_sum 'Ti1 Mo1 Ir1 Pb1' _cell_volume 70.36929050 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.91521272 4.91521272 4.91521272 1 Mo Mo1 1 3.27680848 3.27680848 3.27680848 1 Pb Pb2 1 1.63840424 1.63840424 1.63840424 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrMoPbTi
F-43m
216
cubic
-43m
12,819.198237
false
[CIF] data_CaLaBeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07630315 _cell_length_b 5.07630315 _cell_length_c 5.07630315 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLaBeMo _chemical_formula_sum 'Ca1 La1 Be1 Mo1' _cell_volume 92.49700078 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Ca Ca1 1 5.38423257 5.38423257 5.38423257 1 La La2 1 1.79474419 1.79474419 1.79474419 1 Mo Mo3 1 3.58948838 3.58948838 3.58948838 1 [/CIF]
BeCaLaMo
F-43m
216
cubic
-43m
5,097.672891
false
[CIF] data_SnP2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48071469 _cell_length_b 6.48071469 _cell_length_c 6.48071469 _cell_angle_alpha 33.82873702 _cell_angle_beta 33.82873702 _cell_angle_gamma 33.82873702 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnP2Pt _chemical_formula_sum 'Sn1 P2 Pt1' _cell_volume 75.17403919 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.07894002 1 P P1 1 0.00000000 0.00000000 4.23321597 1 Pt Pt2 1 -0.00000000 0.00000000 9.15607799 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
P2PtSn
R-3m
166
trigonal
-3m
8,299.853067
false
[CIF] data_PrSbPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58171708 _cell_length_b 4.58171708 _cell_length_c 8.13666591 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrSbPt _chemical_formula_sum 'Pr2 Sb2 Pt2' _cell_volume 147.92230067 _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 Pr Pr0 1 0.00000000 0.00000000 2.03004981 1 Pr Pr1 1 0.00000000 0.00000000 6.09838277 1 Pt Pt2 1 -0.00000000 2.64525559 0.30658615 1 Pt Pt3 1 2.29085854 1.32262780 4.37491911 1 Sb Sb4 1 -0.00000000 2.64525559 3.96114345 1 Sb Sb5 1 2.29085854 1.32262780 8.02947640 1 [/CIF]
Pr2Pt2Sb2
P6_3mc
186
hexagonal
6mm
10,277.411433
false
[CIF] data_NbSi3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07904031 _cell_length_b 4.07904031 _cell_length_c 4.07904031 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSi3O _chemical_formula_sum 'Nb1 Si3 O1' _cell_volume 67.86939712 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.03952016 2.03952016 2.03952016 1 Si Si1 1 0.00000000 2.03952016 0.00000000 1 Si Si2 1 0.00000000 0.00000000 2.03952016 1 Si Si3 1 2.03952016 0.00000000 0.00000000 1 O O4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbOSi3
Pm-3m
221
cubic
m-3m
4,726.040391
false
[CIF] data_MnFeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.63980342 _cell_length_b 3.62796811 _cell_length_c 5.28207998 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnFeIr2 _chemical_formula_sum 'Mn1 Fe1 Ir2' _cell_volume 50.58712768 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.64103999 1 Ir Ir1 1 1.31990171 1.81398405 3.96088224 1 Ir Ir2 1 1.31990171 1.81398405 1.32119774 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeIr2Mn
Pmmm
47
orthorhombic
mmm
16,255.662011
false
[CIF] data_YV2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49680827 _cell_length_b 5.49680827 _cell_length_c 5.49680827 _cell_angle_alpha 139.43917122 _cell_angle_beta 129.82725935 _cell_angle_gamma 66.40986863 _symmetry_Int_Tables_number 1 _chemical_formula_structural YV2Bi _chemical_formula_sum 'Y1 V2 Bi1' _cell_volume 81.68969596 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 -0.00000000 4.59927377 1 V V1 1 1.90527636 -0.00000000 2.33065365 1 V V2 1 0.00000000 2.33055871 2.26862012 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiV2Y
Immm
71
orthorhombic
mmm
8,126.269163
false
[CIF] data_NbInCoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50332590 _cell_length_b 4.50332590 _cell_length_c 4.50332590 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbInCoRh _chemical_formula_sum 'Nb1 In1 Co1 Rh1' _cell_volume 64.57808088 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.18433228 3.18433228 3.18433228 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 4.77649842 4.77649842 4.77649842 1 In In3 1 1.59216614 1.59216614 1.59216614 1 [/CIF]
CoInNbRh
F-43m
216
cubic
-43m
9,502.820698
false
[CIF] data_V3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.50619890 _cell_length_b 8.50619890 _cell_length_c 8.50619890 _cell_angle_alpha 155.87194083 _cell_angle_beta 155.87194083 _cell_angle_gamma 34.38430825 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3Ni _chemical_formula_sum 'V6 Ni2' _cell_volume 102.73700619 _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 Ni Ni0 1 -0.00000000 0.00000000 14.18830307 1 Ni Ni1 1 -0.00000000 0.00000000 2.06396117 1 V V2 1 1.77783527 0.00000000 -0.00000000 1 V V3 1 1.77783527 0.00000000 4.06306606 1 V V4 1 0.00000000 0.00000000 6.13801230 1 V V5 1 0.00000000 1.77783527 -0.00000000 1 V V6 1 0.00000000 -0.00000000 10.11425194 1 V V7 1 -0.00000000 1.77783527 4.06306606 1 [/CIF]
Ni2V6
I4/mmm
139
tetragonal
4/mmm
6,837.531076
false
[CIF] data_CdPW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34435919 _cell_length_b 4.34435919 _cell_length_c 4.34435919 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdPW _chemical_formula_sum 'Cd1 P1 W1' _cell_volume 57.97785943 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.07192584 3.07192584 3.07192584 1 P P1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 4.60788876 4.60788876 4.60788876 1 [/CIF]
CdPW
F-43m
216
cubic
-43m
9,372.017288
false
[CIF] data_InRuS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68232325 _cell_length_b 4.68232325 _cell_length_c 4.68232325 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InRuS3 _chemical_formula_sum 'In1 Ru1 S3' _cell_volume 102.65596205 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 S S1 1 0.00000000 2.34116163 0.00000000 1 S S2 1 0.00000000 0.00000000 2.34116163 1 S S3 1 2.34116163 0.00000000 0.00000000 1 In In4 1 2.34116163 2.34116163 2.34116163 1 [/CIF]
InRuS3
Pm-3m
221
cubic
m-3m
5,048.182329
false
[CIF] data_ScCoGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20480498 _cell_length_b 5.20480498 _cell_length_c 5.20480498 _cell_angle_alpha 146.72058441 _cell_angle_beta 121.62008655 _cell_angle_gamma 68.88205311 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCoGe2 _chemical_formula_sum 'Sc1 Co1 Ge2' _cell_volume 64.95813376 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.29244817 1 Ge Ge1 1 0.00000000 2.53841794 1.87758937 1 Ge Ge2 1 1.49040864 -0.00000000 2.41485880 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoGe2Sc
Immm
71
orthorhombic
mmm
6,369.564709
false
[CIF] data_CdCoSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74663859 _cell_length_b 8.74663859 _cell_length_c 8.74663859 _cell_angle_alpha 22.26749798 _cell_angle_beta 22.26749798 _cell_angle_gamma 22.26749798 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdCoSn2 _chemical_formula_sum 'Cd1 Co1 Sn2' _cell_volume 84.25680708 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.78965914 1 Co Co1 1 -0.00000000 -0.00000000 -0.00000000 1 Sn Sn2 1 -0.00000000 -0.00000000 6.80985554 1 Sn Sn3 1 0.00000000 -0.00000000 18.76946273 1 [/CIF]
CdCoSn2
R-3m
166
trigonal
-3m
8,055.953441
false
[CIF] data_Li2CaZr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17179460 _cell_length_b 5.17179460 _cell_length_c 5.17179460 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CaZr _chemical_formula_sum 'Li2 Ca1 Zr1' _cell_volume 97.81575386 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.65701103 3.65701103 3.65701103 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 5.48551655 5.48551655 5.48551655 1 Zr Zr3 1 1.82850552 1.82850552 1.82850552 1 [/CIF]
CaLi2Zr
F-43m
216
cubic
-43m
2,464.671531
false
[CIF] data_Ti6Al16Pd7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.64875236 _cell_length_b 8.64875236 _cell_length_c 8.64875236 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti6Al16Pd7 _chemical_formula_sum 'Ti6 Al16 Pd7' _cell_volume 457.45184968 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.75849049 10.75849049 10.75849049 1 Al Al1 1 7.58828383 10.75849049 7.58828383 1 Al Al2 1 7.58828383 7.58828383 10.75849049 1 Al Al3 1 10.75849049 7.58828383 7.58828383 1 Al Al4 1 4.64289905 1.47269239 4.64289905 1 Al Al5 1 1.47269239 1.47269239 1.47269239 1 Al Al6 1 4.64289905 4.64289905 1.47269239 1 Al Al7 1 1.47269239 4.64289905 4.64289905 1 Al Al8 1 8.08523973 8.08523973 8.08523973 1 Al Al9 1 4.14594315 8.08523973 4.14594315 1 Al Al10 1 4.14594315 4.14594315 8.08523973 1 Al Al11 1 8.08523973 4.14594315 4.14594315 1 Al Al12 1 8.08523973 4.14594315 8.08523973 1 Al Al13 1 4.14594315 4.14594315 4.14594315 1 Al Al14 1 8.08523973 8.08523973 4.14594315 1 Al Al15 1 4.14594315 8.08523973 8.08523973 1 Pd Pd16 1 0.00000000 0.00000000 0.00000000 1 Pd Pd17 1 0.00000000 3.05779572 3.05779572 1 Pd Pd18 1 6.11559144 3.05779572 3.05779572 1 Pd Pd19 1 3.05779572 3.05779572 0.00000000 1 Pd Pd20 1 3.05779572 3.05779572 6.11559144 1 Pd Pd21 1 3.05779572 0.00000000 3.05779572 1 Pd Pd22 1 3.05779572 6.11559144 3.05779572 1 Ti Ti23 1 8.23379405 6.11559144 6.11559144 1 Ti Ti24 1 3.99738883 6.11559144 6.11559144 1 Ti Ti25 1 6.11559144 6.11559144 8.23379405 1 Ti Ti26 1 6.11559144 6.11559144 3.99738883 1 Ti Ti27 1 6.11559144 8.23379405 6.11559144 1 Ti Ti28 1 6.11559144 3.99738883 6.11559144 1 [/CIF]
Al16Pd7Ti6
Fm-3m
225
cubic
m-3m
5,313.727549
false
[CIF] data_CrGaSnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59734436 _cell_length_b 4.59734436 _cell_length_c 4.59734436 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGaSnPd _chemical_formula_sum 'Cr1 Ga1 Sn1 Pd1' _cell_volume 68.70781023 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 4.87622006 4.87622006 4.87622006 1 Pd Pd2 1 3.25081337 3.25081337 3.25081337 1 Sn Sn3 1 1.62540669 1.62540669 1.62540669 1 [/CIF]
CrGaPdSn
F-43m
216
cubic
-43m
8,382.693014
false
[CIF] data_SrYBeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97027478 _cell_length_b 4.97027478 _cell_length_c 4.97027478 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrYBeOs _chemical_formula_sum 'Sr1 Y1 Be1 Os1' _cell_volume 86.82128301 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 3.51451500 3.51451500 3.51451500 1 Sr Sr2 1 1.75725750 1.75725750 1.75725750 1 Y Y3 1 5.27177250 5.27177250 5.27177250 1 [/CIF]
BeOsSrY
F-43m
216
cubic
-43m
7,186.918639
false
[CIF] data_KZnFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08082278 _cell_length_b 3.08082278 _cell_length_c 8.06606804 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZnFe2 _chemical_formula_sum 'K1 Zn1 Fe2' _cell_volume 76.55883477 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.16137363 1 Fe Fe1 1 1.54041139 1.54041139 1.22371020 1 K K2 1 0.00000000 0.00000000 4.00010623 1 Zn Zn3 1 1.54041139 1.54041139 6.71391208 1 [/CIF]
Fe2KZn
P4mm
99
tetragonal
4mm
4,688.628141
false
[CIF] data_CuAgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23949285 _cell_length_b 4.23949285 _cell_length_c 4.23949285 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuAgRu _chemical_formula_sum 'Cu1 Ag1 Ru1' _cell_volume 53.87989272 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49888707 1.49888707 1.49888707 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 2.99777414 2.99777414 2.99777414 1 [/CIF]
AgCuRu
F-43m
216
cubic
-43m
8,397.764663
false
[CIF] data_KRe2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86356431 _cell_length_b 3.86356431 _cell_length_c 4.97890435 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KRe2As _chemical_formula_sum 'K1 Re2 As1' _cell_volume 74.32074839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93178216 1.93178216 0.00000000 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 0.00000000 1.93178216 2.48945217 1 Re Re3 1 1.93178216 0.00000000 2.48945217 1 [/CIF]
AsKRe2
P4/mmm
123
tetragonal
4/mmm
10,868.331007
false
[CIF] data_HfFeCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05157244 _cell_length_b 4.05157244 _cell_length_c 4.05157244 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfFeCo _chemical_formula_sum 'Hf1 Fe1 Co1' _cell_volume 47.02792625 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.43244718 1.43244718 1.43244718 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 4.29734153 4.29734153 4.29734153 1 [/CIF]
CoFeHf
F-43m
216
cubic
-43m
10,355.193895
false
[CIF] data_Re2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85131232 _cell_length_b 2.85131232 _cell_length_c 7.17245042 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2Hg _chemical_formula_sum 'Re2 Hg1' _cell_volume 50.49958034 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Re Re1 1 1.42565616 0.82310297 2.56746513 1 Re Re2 1 -0.00000000 1.64620594 4.60498529 1 [/CIF]
HgRe2
P-3m1
164
trigonal
-3m
18,841.652168
false
[CIF] data_Sm2PuO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05869940 _cell_length_b 7.05869940 _cell_length_c 7.05869940 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2PuO4 _chemical_formula_sum 'Sm4 Pu2 O8' _cell_volume 248.69042533 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 3.89274292 3.89274292 3.89274292 1 O O1 1 3.89274292 6.08976551 6.08976551 1 O O2 1 6.08976551 3.89274292 6.08976551 1 O O3 1 6.38837002 6.38837002 8.58539262 1 O O4 1 6.08976551 6.08976551 3.89274292 1 O O5 1 6.38837002 8.58539262 6.38837002 1 O O6 1 8.58539262 8.58539262 8.58539262 1 O O7 1 8.58539262 6.38837002 6.38837002 1 Pu Pu8 1 0.00000000 0.00000000 0.00000000 1 Pu Pu9 1 2.49562711 2.49562711 2.49562711 1 Sm Sm10 1 3.74344066 3.74344066 6.23906777 1 Sm Sm11 1 3.74344066 6.23906777 3.74344066 1 Sm Sm12 1 6.23906777 3.74344066 3.74344066 1 Sm Sm13 1 6.23906777 6.23906777 6.23906777 1 [/CIF]
O8Pu2Sm4
Fd-3m
227
cubic
m-3m
8,128.977139
false
[CIF] data_Mg3FeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97557294 _cell_length_b 4.97557294 _cell_length_c 4.97557294 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3FeSe _chemical_formula_sum 'Mg3 Fe1 Se1' _cell_volume 123.17690614 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 2.48778647 0.00000000 2.48778647 1 Mg Mg1 1 2.48778647 2.48778647 0.00000000 1 Mg Mg2 1 0.00000000 2.48778647 2.48778647 1 Fe Fe3 1 0.00000000 0.00000000 0.00000000 1 Se Se4 1 2.48778647 2.48778647 2.48778647 1 [/CIF]
FeMg3Se
Pm-3m
221
cubic
m-3m
2,800.258471
false
[CIF] data_SrSb2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62151151 _cell_length_b 4.62151151 _cell_length_c 4.51264797 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSb2Rh _chemical_formula_sum 'Sr1 Sb2 Rh1' _cell_volume 96.38279887 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 2.31075576 2.31075576 0.00000000 1 Sb Sb1 1 2.31075576 0.00000000 2.25632398 1 Sb Sb2 1 0.00000000 2.31075576 2.25632398 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
RhSb2Sr
P4/mmm
123
tetragonal
4/mmm
7,477.988997
false
[CIF] data_Zr2ReBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92037737 _cell_length_b 4.92037737 _cell_length_c 3.26461789 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 100.26726967 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2ReBr _chemical_formula_sum 'Zr2 Re1 Br1' _cell_volume 77.77115530 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 -0.00000000 0.00000000 1 Re Re1 1 3.15395779 -0.00000000 0.00000000 1 Zr Zr2 1 1.57697890 -1.88829710 1.63230894 1 Zr Zr3 1 1.57697890 1.88829710 1.63230894 1 [/CIF]
BrReZr2
Cmmm
65
orthorhombic
mmm
9,577.455039
false
[CIF] data_V2TcAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68388011 _cell_length_b 4.08127443 _cell_length_c 5.56608221 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.47987303 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2TcAg _chemical_formula_sum 'V2 Tc1 Ag1' _cell_volume 59.74922062 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.55389112 0.00000000 2.72736547 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 0.89410672 2.04063721 1.18354096 1 V V3 1 0.68199116 2.04063721 4.27118999 1 [/CIF]
AgTcV2
P2/m
10
monoclinic
2/m
8,578.148226
false
[CIF] data_LiLaSc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32569629 _cell_length_b 5.32569629 _cell_length_c 5.32569629 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaSc2 _chemical_formula_sum 'Li1 La1 Sc2' _cell_volume 106.81055956 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.64875394 5.64875394 5.64875394 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 1.88291798 1.88291798 1.88291798 1 Sc Sc3 1 3.76583596 3.76583596 3.76583596 1 [/CIF]
LaLiSc2
F-43m
216
cubic
-43m
3,665.235526
false
[CIF] data_Ge2WSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57452743 _cell_length_b 4.69700313 _cell_length_c 4.84999506 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.57266382 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge2WSe _chemical_formula_sum 'Ge2 W1 Se1' _cell_volume 78.80967864 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.26948473 2.34850156 3.36661315 1 Ge Ge1 1 2.08474694 2.34850156 1.32735429 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 -0.61014788 0.00000000 2.34698372 1 [/CIF]
Ge2SeW
P2/m
10
monoclinic
2/m
8,598.344695
false
[CIF] data_SnBiW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52807178 _cell_length_b 5.52807178 _cell_length_c 3.08198173 _cell_angle_alpha 101.44591776 _cell_angle_beta 101.44591776 _cell_angle_gamma 112.90083702 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnBiW2 _chemical_formula_sum 'Sn1 Bi1 W2' _cell_volume 80.97445687 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.05513525 0.00000000 0.00000000 1 Sn Sn1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 0.97424450 2.30356931 1.43822334 1 W W3 1 0.97424450 -2.30356931 1.43822334 1 [/CIF]
BiSnW2
C2/m
12
monoclinic
2/m
14,259.925409
false
[CIF] data_TlCuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44622253 _cell_length_b 4.44622253 _cell_length_c 4.44622253 _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 62.15249775 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.71593115 4.71593115 4.71593115 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.57197705 1.57197705 1.57197705 1 [/CIF]
AuCuTl
F-43m
216
cubic
-43m
12,420.703597
false
[CIF] data_TeOsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45836842 _cell_length_b 4.45836842 _cell_length_c 4.45836842 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeOsAu _chemical_formula_sum 'Te1 Os1 Au1' _cell_volume 62.66324233 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57627127 1.57627127 1.57627127 1 Os Os1 1 4.72881381 4.72881381 4.72881381 1 Te Te2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuOsTe
F-43m
216
cubic
-43m
13,641.806303
false
[CIF] data_ScAl2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07594813 _cell_length_b 3.07594813 _cell_length_c 6.62418303 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAl2Fe _chemical_formula_sum 'Sc1 Al2 Fe1' _cell_volume 62.67442202 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53797406 1.53797406 0.21796801 1 Al Al1 1 0.00000000 0.00000000 1.91962200 1 Fe Fe2 1 1.53797406 1.53797406 3.06232219 1 Sc Sc3 1 0.00000000 0.00000000 4.73636234 1 [/CIF]
Al2FeSc
P4mm
99
tetragonal
4mm
4,100.434123
false
[CIF] data_CaTl2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55206617 _cell_length_b 3.55206617 _cell_length_c 8.14812537 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.75285475 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTl2B _chemical_formula_sum 'Ca1 Tl2 B1' _cell_volume 97.34875149 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.19593460 1 Ca Ca1 1 2.06892739 0.00000000 2.53748822 1 Tl Tl2 1 0.00000000 0.00000000 8.03762644 1 Tl Tl3 1 2.06892739 0.00000000 5.59926407 1 [/CIF]
BCaTl2
Cmm2
35
orthorhombic
mm2
7,840.635543
false
[CIF] data_MgMnHgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54826990 _cell_length_b 4.54826990 _cell_length_c 4.54826990 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMnHgMo _chemical_formula_sum 'Mg1 Mn1 Hg1 Mo1' _cell_volume 66.53094431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.60805625 1.60805625 1.60805625 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 3.21611249 3.21611249 3.21611249 1 Mo Mo3 1 4.82416874 4.82416874 4.82416874 1 [/CIF]
HgMgMnMo
F-43m
216
cubic
-43m
9,379.380357
false
[CIF] data_Zn2TcBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71998959 _cell_length_b 4.71998959 _cell_length_c 6.38742249 _cell_angle_alpha 102.59152404 _cell_angle_beta 102.59152404 _cell_angle_gamma 37.31887183 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2TcBr _chemical_formula_sum 'Zn2 Tc1 Br1' _cell_volume 83.95524374 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.77775000 0.00000000 2.97210887 1 Tc Tc1 1 6.82711638 -0.00000000 0.96401787 1 Zn Zn2 1 0.32718469 -0.00000000 0.25654152 1 Zn Zn3 1 1.27907340 0.00000000 5.13139009 1 [/CIF]
BrTcZn2
Cm
8
monoclinic
m
6,122.945846
false
[CIF] data_LiHgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56127232 _cell_length_b 4.56127232 _cell_length_c 3.30098300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHgGe _chemical_formula_sum 'Li1 Hg1 Ge1' _cell_volume 59.47657098 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.63345181 0.15699386 1 Hg Hg1 1 2.28063614 1.31672591 0.95961850 1 Li Li2 1 0.00000000 0.00000000 2.18437067 1 [/CIF]
GeHgLi
P3m1
156
trigonal
3m
7,822.153884
false
[CIF] data_ZnAg2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68815006 _cell_length_b 5.68815006 _cell_length_c 2.64209082 _cell_angle_alpha 101.47858623 _cell_angle_beta 101.47858623 _cell_angle_gamma 121.15889248 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnAg2Mo _chemical_formula_sum 'Zn1 Ag2 Mo1' _cell_volume 66.88070018 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.86187355 2.47729644 1.20778344 1 Ag Ag1 1 0.86187355 -2.47729644 1.20778344 1 Mo Mo2 1 2.79411176 -0.00000000 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2MoZn
C2/m
12
monoclinic
2/m
9,362.19405
false
[CIF] data_TlOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28893927 _cell_length_b 5.28893927 _cell_length_c 4.31981341 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 133.75064100 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlOs _chemical_formula_sum 'Tl2 Os2' _cell_volume 87.28780413 _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 Os Os0 1 2.07714248 -0.52966441 3.23986006 1 Os Os1 1 2.07714248 0.52966441 1.07995335 1 Tl Tl2 1 2.07714248 -3.35614085 3.23986006 1 Tl Tl3 1 2.07714248 3.35614085 1.07995335 1 [/CIF]
Os2Tl2
Cmcm
63
orthorhombic
mmm
15,014.028761
false
[CIF] data_GaRuW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90798748 _cell_length_b 4.90798748 _cell_length_c 2.78860231 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.56168874 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaRuW2 _chemical_formula_sum 'Ga1 Ru1 W2' _cell_volume 61.09462245 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 2.65287340 0.00000000 0.00000000 1 W W2 1 1.32643670 -2.06461884 1.39430115 1 W W3 1 1.32643670 2.06461884 1.39430115 1 [/CIF]
GaRuW2
Cmmm
65
orthorhombic
mmm
14,635.583575
false
[CIF] data_TaGa2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82929229 _cell_length_b 4.06686151 _cell_length_c 5.50481543 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGa2Re _chemical_formula_sum 'Ta1 Ga2 Re1' _cell_volume 63.34027751 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.41464615 2.03343075 1.43554274 1 Ga Ga1 1 1.41464615 2.03343075 4.06927269 1 Re Re2 1 0.00000000 0.00000000 2.75240771 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2ReTa
Pmmm
47
orthorhombic
mmm
13,281.131462
false
[CIF] data_SrCo2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20720915 _cell_length_b 6.20720915 _cell_length_c 6.20720915 _cell_angle_alpha 38.90324627 _cell_angle_beta 38.90324627 _cell_angle_gamma 38.90324627 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCo2Hg _chemical_formula_sum 'Sr1 Co2 Hg1' _cell_volume 84.81087632 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 16.23382376 1 Co Co1 1 0.00000000 -0.00000000 4.75780156 1 Hg Hg2 1 0.00000000 0.00000000 9.30349371 1 Sr Sr3 1 -0.00000000 0.00000000 12.70064333 1 [/CIF]
Co2HgSr
R3m
160
trigonal
3m
7,934.401939
false
[CIF] data_MnAs2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62309551 _cell_length_b 4.00164061 _cell_length_c 5.41864969 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.96760163 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAs2Se _chemical_formula_sum 'Mn1 As2 Se1' _cell_volume 77.80296687 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.17683501 0.00000000 0.58514854 1 As As1 1 1.76527730 2.00082030 0.75893965 1 Mn Mn2 1 3.00704068 0.00000000 3.24192588 1 Se Se3 1 1.17039409 2.00082030 3.46349793 1 [/CIF]
As2MnSe
Pm
6
monoclinic
m
6,055.85418
false
[CIF] data_K2SrTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10420748 _cell_length_b 4.10420748 _cell_length_c 12.25665548 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 99.80649749 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2SrTl _chemical_formula_sum 'K2 Sr1 Tl1' _cell_volume 203.44083231 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.64343901 0.00000000 8.64322933 1 K K1 1 2.64343901 0.00000000 3.61342615 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 6.12832774 1 [/CIF]
K2SrTl
Cmmm
65
orthorhombic
mmm
3,021.671655
false
[CIF] data_BaNbFeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70906967 _cell_length_b 4.70906967 _cell_length_c 4.70906967 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNbFeIr _chemical_formula_sum 'Ba1 Nb1 Fe1 Ir1' _cell_volume 73.83977266 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.32981510 3.32981510 3.32981510 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 4.99472265 4.99472265 4.99472265 1 Nb Nb3 1 1.66490755 1.66490755 1.66490755 1 [/CIF]
BaFeIrNb
F-43m
216
cubic
-43m
10,756.102508
false
[CIF] data_CaCr2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39433059 _cell_length_b 5.39433059 _cell_length_c 5.39433059 _cell_angle_alpha 136.47407075 _cell_angle_beta 136.47407075 _cell_angle_gamma 63.24825979 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCr2Te _chemical_formula_sum 'Ca1 Cr2 Te1' _cell_volume 73.49605252 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 2.00004298 -0.00000000 2.29665293 1 Cr Cr2 1 -0.00000000 2.00004298 2.29665293 1 Te Te3 1 0.00000000 -0.00000000 4.59330586 1 [/CIF]
CaCr2Te
I4/mmm
139
tetragonal
4/mmm
6,138.002857
false
[CIF] data_MgTa2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55714113 _cell_length_b 5.55714113 _cell_length_c 2.73794507 _cell_angle_alpha 100.06844932 _cell_angle_beta 100.06844932 _cell_angle_gamma 117.28909364 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTa2Mo _chemical_formula_sum 'Mg1 Ta2 Mo1' _cell_volume 70.77435501 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 -0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 2.89163532 0.00000000 0.00000000 1 Ta Ta2 1 0.98587350 -2.37277594 1.28939411 1 Ta Ta3 1 0.98587350 2.37277594 1.28939411 1 [/CIF]
MgMoTa2
C2/m
12
monoclinic
2/m
11,312.667961
false
[CIF] data_NaLiHfTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82961495 _cell_length_b 4.82961495 _cell_length_c 4.82961495 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiHfTi _chemical_formula_sum 'Na1 Li1 Hf1 Ti1' _cell_volume 79.65673898 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70752674 1.70752674 1.70752674 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 3.41505348 3.41505348 3.41505348 1 Ti Ti3 1 5.12258022 5.12258022 5.12258022 1 [/CIF]
HfLiNaTi
F-43m
216
cubic
-43m
5,342.622088
false
[CIF] data_SbAsRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10948547 _cell_length_b 3.10948547 _cell_length_c 7.80328154 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbAsRh2 _chemical_formula_sum 'Sb1 As1 Rh2' _cell_volume 75.44914803 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.49405079 1 Rh Rh1 1 1.55474274 1.55474274 7.75704093 1 Rh Rh2 1 0.00000000 0.00000000 1.85076530 1 Sb Sb3 1 1.55474274 1.55474274 3.40634683 1 [/CIF]
AsRh2Sb
P4mm
99
tetragonal
4mm
8,858.356956
false
[CIF] data_KPd2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21797759 _cell_length_b 4.57011862 _cell_length_c 6.41831464 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KPd2Au _chemical_formula_sum 'K1 Pd2 Au1' _cell_volume 94.39119651 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.20915732 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.60898879 2.28505931 1.60276433 1 Pd Pd3 1 1.60898879 2.28505931 4.81555031 1 [/CIF]
AuKPd2
Pmmm
47
orthorhombic
mmm
7,897.177912
false
[CIF] data_CaCr4Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08088176 _cell_length_b 5.08088176 _cell_length_c 5.08088176 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCr4Hg _chemical_formula_sum 'Ca1 Cr4 Hg1' _cell_volume 92.74751200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 4.49275506 4.49275506 2.69269684 1 Cr Cr2 1 4.49275506 2.69269684 4.49275506 1 Cr Cr3 1 2.69269684 4.49275506 4.49275506 1 Cr Cr4 1 2.69269684 2.69269684 2.69269684 1 Hg Hg5 1 5.38908893 5.38908893 5.38908893 1 [/CIF]
CaCr4Hg
F-43m
216
cubic
-43m
8,032.612644
false
[CIF] data_NiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.64806384 _cell_length_b 2.64806384 _cell_length_c 12.55743459 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiRh _chemical_formula_sum 'Ni3 Rh3' _cell_volume 76.25853521 _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 1.32403192 0.76443019 10.61551404 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 0.00000000 1.52886037 1.94192055 1 Rh Rh3 1 1.32403192 0.76443019 4.02947237 1 Rh Rh4 1 0.00000000 0.00000000 6.27871729 1 Rh Rh5 1 0.00000000 1.52886037 8.52796222 1 [/CIF]
Ni3Rh3
P-3m1
164
trigonal
-3m
10,556.508298
false
[CIF] data_YCr2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77989090 _cell_length_b 4.77989090 _cell_length_c 4.77989090 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCr2In _chemical_formula_sum 'Y1 Cr2 In1' _cell_volume 77.22162827 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.06983991 5.06983991 5.06983991 1 Cr Cr1 1 1.68994664 1.68994664 1.68994664 1 In In2 1 3.37989327 3.37989327 3.37989327 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2InY
Fm-3m
225
cubic
m-3m
6,616.987156
false
[CIF] data_BeCr2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.56722915 _cell_length_b 2.56722915 _cell_length_c 7.07749785 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCr2Pd _chemical_formula_sum 'Be1 Cr2 Pd1' _cell_volume 46.64542097 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 1.28361458 1.28361458 1.53283323 1 Cr Cr2 1 1.28361458 1.28361458 5.54466462 1 Pd Pd3 1 0.00000000 0.00000000 3.53874893 1 [/CIF]
BeCr2Pd
P4/mmm
123
tetragonal
4/mmm
7,811.329621
false
[CIF] data_NbZn2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96877308 _cell_length_b 4.96877308 _cell_length_c 4.07931744 _cell_angle_alpha 109.34554366 _cell_angle_beta 109.34554366 _cell_angle_gamma 41.46099872 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbZn2Mo _chemical_formula_sum 'Nb1 Zn2 Mo1' _cell_volume 62.36013287 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.92463313 0.00000000 1.90742957 1 Nb Nb1 1 0.00000000 -0.00000000 0.00000000 1 Zn Zn2 1 6.67495155 -0.00000000 1.05567246 1 Zn Zn3 1 1.17431471 -0.00000000 2.75918667 1 [/CIF]
MoNbZn2
C2/m
12
monoclinic
2/m
8,511.080177
false
[CIF] data_BeNbB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54111577 _cell_length_b 4.54111577 _cell_length_c 4.54111577 _cell_angle_alpha 141.54122155 _cell_angle_beta 138.63239131 _cell_angle_gamma 57.75500503 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNbB2 _chemical_formula_sum 'Be1 Nb1 B2' _cell_volume 38.15687997 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.63278707 1 B B1 1 -0.00000000 1.60396936 2.77920703 1 Be Be2 1 -0.00000000 0.00000000 3.79146145 1 Nb Nb3 1 1.49562107 -0.00000000 1.70233327 1 [/CIF]
B2BeNb
Imm2
44
orthorhombic
mm2
5,376.328734
false
[CIF] data_TiGa2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33054682 _cell_length_b 4.33054682 _cell_length_c 4.33054682 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiGa2Ni _chemical_formula_sum 'Ti1 Ga2 Ni1' _cell_volume 57.42661480 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53107951 1.53107951 1.53107951 1 Ga Ga1 1 3.06215902 3.06215902 3.06215902 1 Ni Ni2 1 4.59323853 4.59323853 4.59323853 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2NiTi
F-43m
216
cubic
-43m
7,113.482821
false
[CIF] data_ScCd2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50166849 _cell_length_b 5.32352535 _cell_length_c 5.51363838 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCd2Br _chemical_formula_sum 'Sc1 Cd2 Br1' _cell_volume 102.78095141 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 2.75681919 1 Cd Cd1 1 1.75083425 2.66176267 4.15080520 1 Cd Cd2 1 1.75083425 2.66176267 1.36283318 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrCd2Sc
Pmmm
47
orthorhombic
mmm
5,649.495045
false
[CIF] data_NaSiTc4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15413294 _cell_length_b 5.15413294 _cell_length_c 5.15413294 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSiTc4 _chemical_formula_sum 'Na1 Si1 Tc4' _cell_volume 96.81705082 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Si Si1 1 1.82226118 1.82226118 1.82226117 1 Tc Tc2 1 2.73690564 2.73690564 4.55213906 1 Tc Tc3 1 2.73690564 4.55213906 2.73690564 1 Tc Tc4 1 4.55213906 2.73690564 2.73690564 1 Tc Tc5 1 4.55213906 4.55213906 4.55213906 1 [/CIF]
NaSiTc4
F-43m
216
cubic
-43m
7,661.49051
false
[CIF] data_BaFeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68819020 _cell_length_b 4.68819020 _cell_length_c 4.68819020 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaFeRu _chemical_formula_sum 'Ba1 Fe1 Ru1' _cell_volume 72.86192978 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.97257662 4.97257662 4.97257662 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 3.31505108 3.31505108 3.31505108 1 [/CIF]
BaFeRu
F-43m
216
cubic
-43m
6,705.838529
false
[CIF] data_TaVGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45651341 _cell_length_b 4.45651341 _cell_length_c 4.45651341 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaVGa2 _chemical_formula_sum 'Ta1 V1 Ga2' _cell_volume 62.58505729 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57561542 1.57561543 1.57561542 1 Ga Ga1 1 3.15123085 3.15123085 3.15123085 1 Ta Ta2 1 4.72684628 4.72684628 4.72684627 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2TaV
F-43m
216
cubic
-43m
9,852.462105
false
[CIF] data_MnCoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84238543 _cell_length_b 3.84238543 _cell_length_c 2.92204565 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCoP2 _chemical_formula_sum 'Mn1 Co1 P2' _cell_volume 43.14086525 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.92119272 1.92119272 0.00000000 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 0.00000000 1.92119272 1.46102282 1 P P3 1 1.92119272 0.00000000 1.46102282 1 [/CIF]
CoMnP2
P4/mmm
123
tetragonal
4/mmm
6,768.47308
false
[CIF] data_MgTa2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84970464 _cell_length_b 2.84970464 _cell_length_c 8.69747350 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTa2Zn _chemical_formula_sum 'Mg1 Ta2 Zn1' _cell_volume 70.63058654 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 1.42485232 1.42485232 2.38896227 1 Ta Ta2 1 1.42485232 1.42485232 6.30851123 1 Zn Zn3 1 0.00000000 0.00000000 4.34873675 1 [/CIF]
MgTa2Zn
P4/mmm
123
tetragonal
4/mmm
10,616.938162
false
[CIF] data_YTi2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47778417 _cell_length_b 4.47778417 _cell_length_c 4.37114798 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTi2Pb _chemical_formula_sum 'Y1 Ti2 Pb1' _cell_volume 87.64392582 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 2.23889208 2.23889208 0.00000000 1 Ti Ti1 1 2.23889208 0.00000000 2.18557399 1 Ti Ti2 1 0.00000000 2.23889208 2.18557399 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbTi2Y
P4/mmm
123
tetragonal
4/mmm
7,423.964327
false
[CIF] data_Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83343222 _cell_length_b 2.83343222 _cell_length_c 2.83343222 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo _chemical_formula_sum Mo1 _cell_volume 16.08508959 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo
Fm-3m
225
cubic
m-3m
9,906.399831
false
[CIF] data_NaMoPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28411184 _cell_length_b 3.28411184 _cell_length_c 6.58963532 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMoPd2 _chemical_formula_sum 'Na1 Mo1 Pd2' _cell_volume 71.07179069 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64205592 1.64205592 3.23666255 1 Na Na1 1 0.00000000 0.00000000 4.96466914 1 Pd Pd2 1 1.64205592 1.64205592 0.01117444 1 Pd Pd3 1 0.00000000 0.00000000 1.67194692 1 [/CIF]
MoNaPd2
P4mm
99
tetragonal
4mm
7,752.019028
false
[CIF] data_KZr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35799098 _cell_length_b 3.35799098 _cell_length_c 13.02605668 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZr _chemical_formula_sum 'K2 Zr2' _cell_volume 146.88316274 _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 1.67899549 0.00000000 8.68216807 1 K K1 1 0.00000000 1.67899549 4.34388861 1 Zr Zr2 1 1.67899549 0.00000000 0.96974772 1 Zr Zr3 1 0.00000000 1.67899549 12.05630896 1 [/CIF]
K2Zr2
P4/nmm
129
tetragonal
4/mmm
2,946.655981
false
[CIF] data_BeInBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79486715 _cell_length_b 3.27324147 _cell_length_c 9.95175096 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.35638389 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeInBr2 _chemical_formula_sum 'Be1 In1 Br2' _cell_volume 123.25869613 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 3.32561772 1.63662073 1.51003763 1 Br Br2 1 -0.28668563 1.63662073 8.41296138 1 In In3 1 1.51946605 0.00000000 4.96149951 1 [/CIF]
BeBr2In
P2/m
10
monoclinic
2/m
3,821.168784
false
[CIF] data_TlZnCuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06026512 _cell_length_b 5.06026512 _cell_length_c 5.06026512 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZnCuPb _chemical_formula_sum 'Tl1 Zn1 Cu1 Pb1' _cell_volume 91.62306492 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 3.57814778 3.57814778 3.57814778 1 Tl Tl2 1 1.78907389 1.78907389 1.78907389 1 Zn Zn3 1 5.36722167 5.36722167 5.36722167 1 [/CIF]
CuPbTlZn
F-43m
216
cubic
-43m
9,795.970144
false
[CIF] data_BaAcB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12057315 _cell_length_b 5.12057315 _cell_length_c 5.12057315 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAcB2 _chemical_formula_sum 'Ba1 Ac1 B2' _cell_volume 94.93814173 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ac Ac0 1 3.62079200 3.62079200 3.62079200 1 B B1 1 5.43118800 5.43118800 5.43118800 1 B B2 1 1.81039600 1.81039600 1.81039600 1 Ba Ba3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AcB2Ba
Fm-3m
225
cubic
m-3m
6,750.536513
false
[CIF] data_PIrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58687349 _cell_length_b 6.58687349 _cell_length_c 6.58687349 _cell_angle_alpha 152.65285487 _cell_angle_beta 152.65285487 _cell_angle_gamma 39.06067623 _symmetry_Int_Tables_number 1 _chemical_formula_structural PIrPb _chemical_formula_sum 'P1 Ir1 Pb1' _cell_volume 60.20342535 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 -0.00000000 11.96815994 1 P P1 1 0.00000000 -0.00000000 4.73061872 1 Pb Pb2 1 -0.00000000 0.00000000 8.13280189 1 [/CIF]
IrPPb
I4mm
107
tetragonal
4mm
11,873.286339
false
[CIF] data_Li2ReSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26255162 _cell_length_b 3.26255162 _cell_length_c 6.21895813 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ReSn _chemical_formula_sum 'Li2 Re1 Sn1' _cell_volume 66.19610200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 1.63127581 1.63127581 0.10552415 1 Li Li1 1 0.00000000 0.00000000 1.56320528 1 Re Re2 1 1.63127581 1.63127581 3.06888258 1 Sn Sn3 1 0.00000000 0.00000000 4.59082513 1 [/CIF]
Li2ReSn
P4mm
99
tetragonal
4mm
7,997.120343
false
[CIF] data_NbRe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11999280 _cell_length_b 6.11999280 _cell_length_c 6.11999280 _cell_angle_alpha 140.96574644 _cell_angle_beta 140.96574644 _cell_angle_gamma 56.38984385 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbRe4 _chemical_formula_sum 'Nb1 Re4' _cell_volume 90.19494381 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Re Re1 1 2.04461994 -0.00000000 2.69691354 1 Re Re2 1 0.00000000 -0.00000000 4.18410062 1 Re Re3 1 -0.00000000 0.00000000 6.60355354 1 Re Re4 1 0.00000000 2.04461993 2.69691354 1 [/CIF]
NbRe4
I4/mmm
139
tetragonal
4/mmm
15,423.15574
false
[CIF] data_TlGaOsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55950962 _cell_length_b 4.55950962 _cell_length_c 4.55950962 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlGaOsRh _chemical_formula_sum 'Tl1 Ga1 Os1 Rh1' _cell_volume 67.02539942 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 1.61203008 1.61203008 1.61203008 1 Rh Rh2 1 3.22406017 3.22406017 3.22406017 1 Tl Tl3 1 4.83609026 4.83609026 4.83609026 1 [/CIF]
GaOsRhTl
F-43m
216
cubic
-43m
14,053.286921
false
[CIF] data_NbTlAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81179447 _cell_length_b 4.81179447 _cell_length_c 4.81179447 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTlAu2 _chemical_formula_sum 'Nb1 Tl1 Au2' _cell_volume 78.77822813 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 5.10367875 5.10367875 5.10367875 1 Au Au1 1 1.70122625 1.70122625 1.70122625 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.40245250 3.40245250 3.40245250 1 [/CIF]
Au2NbTl
Fm-3m
225
cubic
m-3m
14,570.047083
false
[CIF] data_SrSiTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01924583 _cell_length_b 7.01924583 _cell_length_c 7.01924583 _cell_angle_alpha 31.76564803 _cell_angle_beta 31.76564803 _cell_angle_gamma 31.76564803 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSiTc2 _chemical_formula_sum 'Sr1 Si1 Tc2' _cell_volume 85.12830790 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 0.00000000 0.00000000 9.98933315 1 Tc Tc2 1 -0.00000000 -0.00000000 14.25073633 1 Tc Tc3 1 0.00000000 0.00000000 5.72792998 1 [/CIF]
SiSrTc2
R-3m
166
trigonal
-3m
6,115.576992
false
[CIF] data_TaRe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81155676 _cell_length_b 2.81155676 _cell_length_c 8.02042716 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaRe2Pt _chemical_formula_sum 'Ta1 Re2 Pt1' _cell_volume 63.40028498 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40577838 1.40577838 6.06237357 1 Re Re1 1 0.00000000 0.00000000 0.09310385 1 Re Re2 1 1.40577838 1.40577838 1.88793565 1 Ta Ta3 1 0.00000000 0.00000000 3.98722776 1 [/CIF]
PtRe2Ta
P4mm
99
tetragonal
4mm
19,602.808147
false
[CIF] data_NaSr4Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.37001748 _cell_length_b 7.37001748 _cell_length_c 7.37001748 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSr4Mn _chemical_formula_sum 'Na1 Sr4 Mn1' _cell_volume 283.06785665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.81708401 7.81708401 7.81708401 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 6.50253735 6.50253735 3.92024133 1 Sr Sr3 1 6.50253735 3.92024133 6.50253735 1 Sr Sr4 1 3.92024133 6.50253735 6.50253735 1 Sr Sr5 1 3.92024133 3.92024133 3.92024133 1 [/CIF]
MnNaSr4
F-43m
216
cubic
-43m
2,513.135615
false