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_HgTeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.98290062 _cell_length_b 10.98290062 _cell_length_c 10.98290062 _cell_angle_alpha 164.75244866 _cell_angle_beta 164.75244866 _cell_angle_gamma 21.62789849 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgTeSe _chemical_formula_sum 'Hg1 Te1 Se1' _cell_volume 91.61358126 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 21.40487686 1 Se Se1 1 -0.00000000 0.00000000 7.40508184 1 Te Te2 1 -0.00000000 0.00000000 14.34148890 1 [/CIF]
HgSeTe
I4mm
107
tetragonal
4mm
7,379.785054
false
[CIF] data_Mn2PPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29062764 _cell_length_b 4.29062764 _cell_length_c 4.29062764 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2PPd _chemical_formula_sum 'Mn2 P1 Pd1' _cell_volume 55.85312547 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51696595 1.51696595 1.51696595 1 Mn Mn1 1 4.55089785 4.55089785 4.55089785 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 3.03393190 3.03393190 3.03393190 1 [/CIF]
Mn2PPd
Fm-3m
225
cubic
m-3m
7,351.446241
false
[CIF] data_MnSbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16165407 _cell_length_b 3.16165407 _cell_length_c 7.91890462 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSbAu2 _chemical_formula_sum 'Mn1 Sb1 Au2' _cell_volume 79.15781767 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58082703 1.58082703 6.26237700 1 Au Au1 1 1.58082703 1.58082703 1.65652762 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 0.00000000 0.00000000 3.95945231 1 [/CIF]
Au2MnSb
P4/mmm
123
tetragonal
4/mmm
11,970.458508
false
[CIF] data_VO2F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18848800 _cell_length_b 4.24115829 _cell_length_c 5.59448005 _cell_angle_alpha 109.51987218 _cell_angle_beta 105.80609452 _cell_angle_gamma 90.17721744 _symmetry_Int_Tables_number 1 _chemical_formula_structural VO2F _chemical_formula_sum 'V1 O2 F1' _cell_volume 68.23885579 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy V V0 1 1.57031520 -1.68491077 4.88711951 1 O O1 1 1.57384435 -0.06352363 4.87583621 1 O O2 1 1.48776419 3.98081238 0.57478752 1 F F3 1 1.54795284 2.15797457 3.16800499 1 [/CIF]
FO2V
P1
1
triclinic
1
2,480.598438
false
[CIF] data_Ba2NaZr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40821174 _cell_length_b 6.40821174 _cell_length_c 3.87255392 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2NaZr _chemical_formula_sum 'Ba2 Na1 Zr1' _cell_volume 159.02711490 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.20410587 0.00000000 1.93627696 1 Ba Ba1 1 0.00000000 3.20410587 1.93627696 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.20410587 3.20410587 0.00000000 1 [/CIF]
Ba2NaZr
P4/mmm
123
tetragonal
4/mmm
4,060.503286
false
[CIF] data_HfHgAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03154472 _cell_length_b 5.03154472 _cell_length_c 5.59845070 _cell_angle_alpha 99.26691012 _cell_angle_beta 99.26691012 _cell_angle_gamma 38.94262066 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfHgAs2 _chemical_formula_sum 'Hf1 Hg1 As2' _cell_volume 87.77594688 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.75264499 0.00000000 0.94387886 1 As As1 1 1.77869324 0.00000000 4.57230440 1 Hf Hf2 1 0.00000000 0.00000000 0.00000000 1 Hg Hg3 1 4.26566912 -0.00000000 2.75809163 1 [/CIF]
As2HfHg
C2/m
12
monoclinic
2/m
10,006.131156
false
[CIF] data_YBeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.52096365 _cell_length_b 6.52096365 _cell_length_c 6.52096365 _cell_angle_alpha 148.39610934 _cell_angle_beta 148.39610934 _cell_angle_gamma 45.30096734 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBeBr _chemical_formula_sum 'Y1 Be1 Br1' _cell_volume 75.90544504 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.43866357 1 Br Br1 1 0.00000000 -0.00000000 3.67039158 1 Y Y2 1 0.00000000 0.00000000 7.92696465 1 [/CIF]
BeBrY
I4mm
107
tetragonal
4mm
3,890.108686
false
[CIF] data_Mg2IrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42824292 _cell_length_b 4.42824292 _cell_length_c 3.10909150 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2IrRu _chemical_formula_sum 'Mg2 Ir1 Ru1' _cell_volume 60.96721788 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.21412146 2.21412146 0.00000000 1 Mg Mg1 1 2.21412146 0.00000000 1.55454575 1 Mg Mg2 1 0.00000000 2.21412146 1.55454575 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrMg2Ru
P4/mmm
123
tetragonal
4/mmm
9,312.108129
false
[CIF] data_SrYAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19481061 _cell_length_b 5.19481061 _cell_length_c 5.19481061 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrYAg _chemical_formula_sum 'Sr1 Y1 Ag1' _cell_volume 99.12750129 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.50992872 5.50992872 5.50992872 1 Sr Sr1 1 -0.00000000 -0.00000000 0.00000000 1 Y Y2 1 1.83664290 1.83664290 1.83664290 1 [/CIF]
AgSrY
F-43m
216
cubic
-43m
4,764.040495
false
[CIF] data_MgUAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87312351 _cell_length_b 4.87312351 _cell_length_c 4.87312351 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgUAs2 _chemical_formula_sum 'Mg1 U1 As2' _cell_volume 81.82900251 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72290934 1.72290934 1.72290934 1 As As1 1 5.16872801 5.16872801 5.16872801 1 Mg Mg2 1 -0.00000000 0.00000000 0.00000000 1 U U3 1 3.44581868 3.44581868 3.44581868 1 [/CIF]
As2MgU
Fm-3m
225
cubic
m-3m
8,364.225061
false
[CIF] data_LiNbHgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59384248 _cell_length_b 4.59384248 _cell_length_c 4.59384248 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNbHgW _chemical_formula_sum 'Li1 Nb1 Hg1 W1' _cell_volume 68.55092206 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.24833717 3.24833717 3.24833717 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 4.87250575 4.87250576 4.87250576 1 W W3 1 1.62416859 1.62416859 1.62416859 1 [/CIF]
HgLiNbW
F-43m
216
cubic
-43m
11,730.863487
false
[CIF] data_LiCuBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33941227 _cell_length_b 3.33941227 _cell_length_c 6.64344863 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCuBi _chemical_formula_sum 'Li1 Cu1 Bi1' _cell_volume 64.15999028 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66970615 0.96400528 0.10595072 1 Cu Cu1 1 0.00000002 1.92801056 2.28237638 1 Li Li2 1 0.00000000 0.00000000 4.25512147 1 [/CIF]
BiCuLi
P3m1
156
trigonal
3m
7,232.958332
false
[CIF] data_Cu2TcNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44999801 _cell_length_b 4.44999801 _cell_length_c 4.63882549 _cell_angle_alpha 97.95326413 _cell_angle_beta 97.95326413 _cell_angle_gamma 33.20600551 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2TcNi _chemical_formula_sum 'Cu2 Tc1 Ni1' _cell_volume 49.78021461 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.85429047 -0.00000000 4.51937498 1 Cu Cu1 1 1.59920567 -0.00000000 3.49824074 1 Ni Ni2 1 3.95151437 -0.00000000 2.21674205 1 Tc Tc3 1 6.24288144 0.00000000 1.24118703 1 [/CIF]
Cu2NiTc
Cm
8
monoclinic
m
9,496.574642
false
[CIF] data_TlFeAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81643590 _cell_length_b 5.81643590 _cell_length_c 2.95861716 _cell_angle_alpha 103.54089452 _cell_angle_beta 103.54089452 _cell_angle_gamma 121.69691830 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlFeAg2 _chemical_formula_sum 'Tl1 Fe1 Ag2' _cell_volume 74.67994565 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.70561118 -2.53984673 1.29721669 1 Ag Ag1 1 0.70561118 2.53984673 1.29721669 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 2.83330919 -0.00000000 0.00000000 1 [/CIF]
Ag2FeTl
C2/m
12
monoclinic
2/m
10,583.269334
false
[CIF] data_EuNpIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42636007 _cell_length_b 5.42636007 _cell_length_c 5.42636007 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuNpIn2 _chemical_formula_sum 'Eu1 Np1 In2' _cell_volume 112.98240788 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 In In1 1 1.91850800 1.91850800 1.91850800 1 In In2 1 5.75552400 5.75552400 5.75552400 1 Np Np3 1 3.83701600 3.83701600 3.83701600 1 [/CIF]
EuIn2Np
Fm-3m
225
cubic
m-3m
9,091.764691
false
[CIF] data_TaTiW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70791675 _cell_length_b 4.67593501 _cell_length_c 5.36714306 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTiW2 _chemical_formula_sum 'Ta1 Ti1 W2' _cell_volume 67.95899479 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 0.00000000 0.00000000 2.68357153 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.35395838 2.33796750 1.32561805 1 W W3 1 1.35395838 2.33796750 4.04152501 1 [/CIF]
TaTiW2
Pmmm
47
orthorhombic
mmm
14,575.010332
false
[CIF] data_SrCa2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06257221 _cell_length_b 7.06257221 _cell_length_c 7.06257221 _cell_angle_alpha 148.86665644 _cell_angle_beta 121.85640203 _cell_angle_gamma 67.43331098 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCa2Cl _chemical_formula_sum 'Sr1 Ca2 Cl1' _cell_volume 152.83838597 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 1.89530846 -0.00000000 2.30630216 1 Ca Ca1 1 -0.00000000 3.43174092 3.56829454 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 5.87459670 1 [/CIF]
Ca2ClSr
Immm
71
orthorhombic
mmm
2,208.016604
false
[CIF] data_ReTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27969862 _cell_length_b 5.27969862 _cell_length_c 4.27534451 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 149.70586005 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReTc _chemical_formula_sum 'Re2 Tc2' _cell_volume 60.11713960 _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 Re Re0 1 1.37957248 -4.40274027 1.06883613 1 Re Re1 1 1.37957248 4.40274027 3.20650838 1 Tc Tc2 1 1.37957248 -1.78235962 1.06883613 1 Tc Tc3 1 1.37957248 1.78235962 3.20650838 1 [/CIF]
Re2Tc2
Cmcm
63
orthorhombic
mmm
15,750.636512
false
[CIF] data_KTcBiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86628197 _cell_length_b 4.86628197 _cell_length_c 4.86628197 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTcBiMo _chemical_formula_sum 'K1 Tc1 Bi1 Mo1' _cell_volume 81.48483901 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.44098098 3.44098098 3.44098098 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 5.16147147 5.16147147 5.16147147 1 Tc Tc3 1 1.72049049 1.72049049 1.72049049 1 [/CIF]
BiKMoTc
F-43m
216
cubic
-43m
9,026.554138
false
[CIF] data_KSrCuOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30173114 _cell_length_b 5.30173114 _cell_length_c 5.30173114 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrCuOs _chemical_formula_sum 'K1 Sr1 Cu1 Os1' _cell_volume 105.37512484 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.87444502 1.87444502 1.87444502 1 K K1 1 0.00000000 -0.00000000 0.00000000 1 Os Os2 1 5.62333506 5.62333506 5.62333506 1 Sr Sr3 1 3.74889004 3.74889004 3.74889004 1 [/CIF]
CuKOsSr
F-43m
216
cubic
-43m
5,995.965848
false
[CIF] data_KLi2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37556229 _cell_length_b 3.37556229 _cell_length_c 8.04810131 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLi2Ni _chemical_formula_sum 'K1 Li2 Ni1' _cell_volume 91.70345276 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.67995458 1 Li Li1 1 1.68778114 1.68778114 0.76599478 1 Li Li2 1 0.00000000 0.00000000 2.38613359 1 Ni Ni3 1 1.68778114 1.68778114 3.24006893 1 [/CIF]
KLi2Ni
P4mm
99
tetragonal
4mm
2,022.154412
false
[CIF] data_TiMoAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08525824 _cell_length_b 4.08525824 _cell_length_c 4.07463384 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMoAu2 _chemical_formula_sum 'Ti1 Mo1 Au2' _cell_volume 68.00292870 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04262912 2.03731692 1 Au Au1 1 2.04262912 0.00000000 2.03731692 1 Mo Mo2 1 2.04262912 2.04262912 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2MoTi
P4/mmm
123
tetragonal
4/mmm
13,131.371467
false
[CIF] data_Hg4GeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81395493 _cell_length_b 5.81395493 _cell_length_c 5.81395493 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg4GeMo _chemical_formula_sum 'Hg4 Ge1 Mo1' _cell_volume 138.96325736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 5.13760049 5.13760049 3.08457343 1 Hg Hg2 1 5.13760049 3.08457343 5.13760049 1 Hg Hg3 1 3.08457343 5.13760049 5.13760049 1 Hg Hg4 1 3.08457343 3.08457343 3.08457343 1 Mo Mo5 1 6.16663044 6.16663044 6.16663044 1 [/CIF]
GeHg4Mo
F-43m
216
cubic
-43m
11,602.46991
false
[CIF] data_ZrTaHgP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68563670 _cell_length_b 4.68563670 _cell_length_c 4.68563670 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaHgP _chemical_formula_sum 'Zr1 Ta1 Hg1 P1' _cell_volume 72.74293854 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr Zr0 1 1.65662274 1.65662274 1.65662274 1 Ta Ta1 1 4.96986823 4.96986823 4.96986823 1 Hg Hg2 1 3.31324549 3.31324549 3.31324549 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgPTaZr
F-43m
216
cubic
-43m
11,499.022855
false
[CIF] data_CuTc2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84021722 _cell_length_b 4.84021722 _cell_length_c 4.84021722 _cell_angle_alpha 131.66350266 _cell_angle_beta 131.66350266 _cell_angle_gamma 70.76100988 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuTc2Sb _chemical_formula_sum 'Cu1 Tc2 Sb1' _cell_volume 61.98948718 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 0.00000000 0.00000000 3.94634938 1 Tc Tc2 1 0.00000000 1.98166966 1.97317469 1 Tc Tc3 1 1.98166966 0.00000000 1.97317469 1 [/CIF]
CuSbTc2
I4/mmm
139
tetragonal
4/mmm
10,262.757433
false
[CIF] data_Li2CuAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82632968 _cell_length_b 3.82731758 _cell_length_c 5.53993830 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.09242828 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CuAg _chemical_formula_sum 'Li2 Cu1 Ag1' _cell_volume 59.77415957 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.19768059 0.00000000 2.76290635 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 1.28523344 1.91365879 1.32005476 1 Li Li3 1 1.14573504 1.91365879 4.20575793 1 [/CIF]
AgCuLi2
P2/m
10
monoclinic
2/m
5,147.568468
false
[CIF] data_VRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70495145 _cell_length_b 3.70495145 _cell_length_c 6.04276445 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VRu _chemical_formula_sum 'V2 Ru2' _cell_volume 71.83421318 _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 Ru Ru0 1 1.85247572 1.06952736 3.02249222 1 Ru Ru1 1 0.00000000 2.13905472 0.00111000 1 V V2 1 1.85247572 1.06952736 5.28630222 1 V V3 1 0.00000000 2.13905472 2.26492000 1 [/CIF]
Ru2V2
P6_3mc
186
hexagonal
6mm
7,027.878592
false
[CIF] data_AlHgSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89792147 _cell_length_b 4.89792147 _cell_length_c 3.57835991 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlHgSe2 _chemical_formula_sum 'Al1 Hg1 Se2' _cell_volume 85.84354704 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 2.44896073 2.44896073 0.00000000 1 Se Se2 1 2.44896073 0.00000000 1.78917996 1 Se Se3 1 0.00000000 2.44896073 1.78917996 1 [/CIF]
AlHgSe2
P4/mmm
123
tetragonal
4/mmm
7,456.865883
false
[CIF] data_KTiAlFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61090675 _cell_length_b 4.61090675 _cell_length_c 4.61090675 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTiAlFe _chemical_formula_sum 'K1 Ti1 Al1 Fe1' _cell_volume 69.31768014 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 4.89060515 4.89060515 4.89060515 1 K K2 1 1.63020172 1.63020172 1.63020172 1 Ti Ti3 1 3.26040343 3.26040343 3.26040343 1 [/CIF]
AlFeKTi
F-43m
216
cubic
-43m
4,067.446871
false
[CIF] data_Mg2BeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74206181 _cell_length_b 4.74206181 _cell_length_c 4.74206181 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2BeSe _chemical_formula_sum 'Mg2 Be1 Se1' _cell_volume 75.40265403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67657203 1.67657203 1.67657203 1 Mg Mg2 1 5.02971609 5.02971609 5.02971609 1 Se Se3 1 3.35314406 3.35314406 3.35314406 1 [/CIF]
BeMg2Se
Fm-3m
225
cubic
m-3m
3,007.852335
false
[CIF] data_POs2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.50221248 _cell_length_b 8.50221248 _cell_length_c 8.50221248 _cell_angle_alpha 19.04001105 _cell_angle_beta 19.04001105 _cell_angle_gamma 19.04001105 _symmetry_Int_Tables_number 1 _chemical_formula_structural POs2W _chemical_formula_sum 'P1 Os2 W1' _cell_volume 57.16725544 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 0.00000000 -0.00000000 0.01058697 1 Os Os1 1 -0.00000000 -0.00000000 6.06003003 1 P P2 1 0.00000000 -0.00000000 12.60576387 1 W W3 1 -0.00000000 -0.00000000 18.87937322 1 [/CIF]
Os2PW
R3m
160
trigonal
3m
17,290.935703
false
[CIF] data_MoAsBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66379758 _cell_length_b 6.66379758 _cell_length_c 6.66379758 _cell_angle_alpha 152.69166642 _cell_angle_beta 152.69166642 _cell_angle_gamma 39.00409085 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoAsBr _chemical_formula_sum 'Mo1 As1 Br1' _cell_volume 62.17481729 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.00990644 1 Br Br1 1 -0.00000000 0.00000000 8.84683078 1 Mo Mo2 1 0.00000000 -0.00000000 4.26923345 1 [/CIF]
AsBrMo
I4mm
107
tetragonal
4mm
6,697.877119
false
[CIF] data_HfMgTiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04468852 _cell_length_b 5.04468852 _cell_length_c 5.04468852 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMgTiBi _chemical_formula_sum 'Hf1 Mg1 Ti1 Bi1' _cell_volume 90.77955937 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 5.35070019 5.35070019 5.35070019 1 Hf Hf1 1 3.56713346 3.56713346 3.56713346 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 1.78356673 1.78356673 1.78356673 1 [/CIF]
BiHfMgTi
F-43m
216
cubic
-43m
8,407.775574
false
[CIF] data_LiMnPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90641163 _cell_length_b 3.90641163 _cell_length_c 5.89968208 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMnPb2 _chemical_formula_sum 'Li1 Mn1 Pb2' _cell_volume 90.02945428 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.87388134 1 Mn Mn1 1 1.95320582 1.95320582 4.58751078 1 Pb Pb2 1 0.00000000 0.00000000 5.61208632 1 Pb Pb3 1 1.95320582 1.95320582 1.67572676 1 [/CIF]
LiMnPb2
P4mm
99
tetragonal
4mm
8,784.68016
false
[CIF] data_BaRhCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09595093 _cell_length_b 6.09595093 _cell_length_c 6.09595093 _cell_angle_alpha 144.65281393 _cell_angle_beta 144.65281393 _cell_angle_gamma 50.85221354 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaRhCl _chemical_formula_sum 'Ba1 Rh1 Cl1' _cell_volume 75.42678323 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 -0.00000000 0.00000000 0.07637543 1 Cl Cl1 1 -0.00000000 0.00000000 3.54041214 1 Rh Rh2 1 -0.00000000 0.00000000 7.39420358 1 [/CIF]
BaClRh
I4mm
107
tetragonal
4mm
6,069.283658
false
[CIF] data_CaHfNiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60266494 _cell_length_b 4.60266494 _cell_length_c 4.60266494 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHfNiRh _chemical_formula_sum 'Ca1 Hf1 Ni1 Rh1' _cell_volume 68.94663646 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 4.88186339 4.88186339 4.88186339 1 Ni Ni2 1 1.62728780 1.62728780 1.62728780 1 Rh Rh3 1 3.25457559 3.25457559 3.25457559 1 [/CIF]
CaHfNiRh
F-43m
216
cubic
-43m
9,156.095521
false
[CIF] data_TlRe2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.36711255 _cell_length_b 10.36711255 _cell_length_c 10.36711255 _cell_angle_alpha 16.26457283 _cell_angle_beta 16.26457283 _cell_angle_gamma 16.26457283 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlRe2As _chemical_formula_sum 'Tl1 Re2 As1' _cell_volume 76.19972763 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 22.41498093 1 Re Re1 1 -0.00000000 0.00000000 30.59766044 1 Re Re2 1 0.00000000 -0.00000000 8.09326221 1 Tl Tl3 1 -0.00000000 0.00000000 15.60316362 1 [/CIF]
AsRe2Tl
R3m
160
trigonal
3m
14,202.212112
false
[CIF] data_KLiFe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18256402 _cell_length_b 5.18256402 _cell_length_c 5.18256402 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiFe4 _chemical_formula_sum 'K1 Li1 Fe4' _cell_volume 98.42808331 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.58437999 4.58437999 2.74487233 1 Fe Fe1 1 4.58437999 2.74487233 4.58437999 1 Fe Fe2 1 2.74487233 4.58437999 4.58437999 1 Fe Fe3 1 2.74487233 2.74487233 2.74487233 1 K K4 1 5.49693924 5.49693924 5.49693924 1 Li Li5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe4KLi
F-43m
216
cubic
-43m
4,545.260437
false
[CIF] data_K2AlBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.31722586 _cell_length_b 10.31722586 _cell_length_c 10.31722586 _cell_angle_alpha 158.48570107 _cell_angle_beta 157.36116533 _cell_angle_gamma 31.43024987 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2AlBr _chemical_formula_sum 'K2 Al1 Br1' _cell_volume 154.91611516 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.83392112 1 Br Br1 1 1.92567540 0.00000000 3.99342147 1 K K2 1 0.00000000 -0.00000000 1.36015961 1 K K3 1 0.00000000 2.02504920 5.67563928 1 [/CIF]
AlBrK2
Imm2
44
orthorhombic
mm2
1,983.887353
false
[CIF] data_FeAgMoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38751475 _cell_length_b 4.38751475 _cell_length_c 4.38751475 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeAgMoRh _chemical_formula_sum 'Fe1 Ag1 Mo1 Rh1' _cell_volume 59.72288375 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.10244143 3.10244143 3.10244143 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 4.65366215 4.65366215 4.65366215 1 Rh Rh3 1 1.55122072 1.55122072 1.55122072 1 [/CIF]
AgFeMoRh
F-43m
216
cubic
-43m
10,081.1625
false
[CIF] data_Mg3Ta _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84907154 _cell_length_b 10.02664509 _cell_length_c 6.77583376 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3Ta _chemical_formula_sum 'Mg12 Ta4' _cell_volume 329.44049092 _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 Mg Mg0 1 0.93344419 7.51998382 5.96628255 1 Mg Mg1 1 1.49109158 2.50666127 2.57836567 1 Mg Mg2 1 3.35797996 7.51998382 4.19746809 1 Mg Mg3 1 3.91562735 2.50666127 0.80955121 1 Mg Mg4 1 3.67737831 0.01575336 2.57401843 1 Mg Mg5 1 3.59622900 10.01089173 5.96193531 1 Mg Mg6 1 1.25284254 4.99756918 0.81389845 1 Mg Mg7 1 1.17169323 5.02907591 4.20181533 1 Mg Mg8 1 1.17169323 10.01089173 4.20181533 1 Mg Mg9 1 1.25284254 0.01575336 0.81389845 1 Mg Mg10 1 3.59622900 5.02907591 5.96193531 1 Mg Mg11 1 3.67737831 4.99756918 2.57401843 1 Ta Ta12 1 0.96323043 7.51998382 2.25453055 1 Ta Ta13 1 1.46130534 2.50666127 5.64244743 1 Ta Ta14 1 3.38776620 7.51998382 1.13338633 1 Ta Ta15 1 3.88584111 2.50666127 4.52130321 1 [/CIF]
Mg12Ta4
Pnma
62
orthorhombic
mmm
5,118.365731
false
[CIF] data_TlNiMoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47480735 _cell_length_b 4.47480735 _cell_length_c 4.47480735 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlNiMoRu _chemical_formula_sum 'Tl1 Ni1 Mo1 Ru1' _cell_volume 63.35895851 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.16416662 3.16416662 3.16416662 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 4.74624993 4.74624993 4.74624993 1 Tl Tl3 1 1.58208331 1.58208331 1.58208331 1 [/CIF]
MoNiRuTl
F-43m
216
cubic
-43m
12,058.675965
false
[CIF] data_YZnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51020343 _cell_length_b 4.51020343 _cell_length_c 4.51020343 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZnGe _chemical_formula_sum 'Y1 Zn1 Ge1' _cell_volume 64.87440608 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.59459771 1.59459771 1.59459771 1 Y Y1 1 4.78379315 4.78379315 4.78379315 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeYZn
F-43m
216
cubic
-43m
5,808.442218
false
[CIF] data_BaHfMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74120493 _cell_length_b 4.74120493 _cell_length_c 6.82765189 _cell_angle_alpha 93.46288403 _cell_angle_beta 93.46288403 _cell_angle_gamma 37.49237008 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHfMn2 _chemical_formula_sum 'Ba1 Hf1 Mn2' _cell_volume 93.22562017 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 -0.00000000 0.00000000 1 Hf Hf1 1 4.27193808 -0.00000000 3.40687410 1 Mn Mn2 1 1.87942178 -0.00000000 4.19949494 1 Mn Mn3 1 6.66445438 -0.00000000 2.61425326 1 [/CIF]
BaHfMn2
C2/m
12
monoclinic
2/m
7,582.465046
false
[CIF] data_CrGaCoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15231912 _cell_length_b 4.15231912 _cell_length_c 4.15231912 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGaCoRu _chemical_formula_sum 'Cr1 Ga1 Co1 Ru1' _cell_volume 50.62408317 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 2.93613301 2.93613301 2.93613301 1 Co Co2 1 1.46806650 1.46806650 1.46806650 1 Ga Ga3 1 4.40419951 4.40419951 4.40419951 1 [/CIF]
CoCrGaRu
F-43m
216
cubic
-43m
9,240.876031
false
[CIF] data_TcMoAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79276589 _cell_length_b 4.79276589 _cell_length_c 4.79276589 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcMoAs3 _chemical_formula_sum 'Tc1 Mo1 As3' _cell_volume 110.09273152 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.39638295 0.00000000 2.39638295 1 As As1 1 2.39638295 2.39638295 0.00000000 1 As As2 1 0.00000000 2.39638295 2.39638295 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 Tc Tc4 1 2.39638295 2.39638295 2.39638295 1 [/CIF]
As3MoTc
Pm-3m
221
cubic
m-3m
6,329.334002
false
[CIF] data_SrAlFeW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63472799 _cell_length_b 4.63472799 _cell_length_c 4.63472799 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAlFeW _chemical_formula_sum 'Sr1 Al1 Fe1 W1' _cell_volume 70.39758388 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 4.91587138 4.91587138 4.91587138 1 Sr Sr2 1 1.63862380 1.63862380 1.63862379 1 W W3 1 3.27724759 3.27724759 3.27724759 1 [/CIF]
AlFeSrW
F-43m
216
cubic
-43m
8,356.91519
false
[CIF] data_HfTi2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06693429 _cell_length_b 4.06693429 _cell_length_c 4.08262232 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTi2Si _chemical_formula_sum 'Hf1 Ti2 Si1' _cell_volume 67.52638749 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 2.03346714 2.03346714 0.00000000 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 0.00000000 2.03346714 2.04131116 1 Ti Ti3 1 2.03346714 0.00000000 2.04131116 1 [/CIF]
HfSiTi2
P4/mmm
123
tetragonal
4/mmm
7,434.082491
false
[CIF] data_TiNi2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32332723 _cell_length_b 4.32332723 _cell_length_c 4.32332723 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNi2Sn _chemical_formula_sum 'Ti1 Ni2 Sn1' _cell_volume 57.13988030 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 1.52852700 1.52852700 1.52852700 1 Ni Ni2 1 4.58558100 4.58558100 4.58558100 1 Sn Sn3 1 3.05705400 3.05705400 3.05705400 1 [/CIF]
Ni2SnTi
Fm-3m
225
cubic
m-3m
8,252.257109
false
[CIF] data_KVFeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58781693 _cell_length_b 4.58781693 _cell_length_c 4.58781693 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KVFeAu _chemical_formula_sum 'K1 V1 Fe1 Au1' _cell_volume 68.28152946 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.24407646 3.24407646 3.24407646 1 Fe Fe1 1 1.62203823 1.62203823 1.62203823 1 K K2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 4.86611469 4.86611469 4.86611469 1 [/CIF]
AuFeKV
F-43m
216
cubic
-43m
8,337.805213
false
[CIF] data_Li2CoBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44199508 _cell_length_b 4.44199508 _cell_length_c 4.44199508 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CoBi _chemical_formula_sum 'Li2 Co1 Bi1' _cell_volume 61.97538316 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.14096484 3.14096484 3.14096484 1 Co Co1 1 0.00000000 -0.00000000 0.00000000 1 Li Li2 1 4.71144726 4.71144726 4.71144726 1 Li Li3 1 1.57048242 1.57048242 1.57048242 1 [/CIF]
BiCoLi2
Fm-3m
225
cubic
m-3m
7,550.297722
false
[CIF] data_RbSbF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94809776 _cell_length_b 4.94809776 _cell_length_c 4.94809776 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbSbF3 _chemical_formula_sum 'Rb1 Sb1 F3' _cell_volume 121.14759982 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy F F0 1 2.47404888 0.00000000 0.00000000 1 F F1 1 0.00000000 2.47404888 0.00000000 1 F F2 1 0.00000000 0.00000000 2.47404888 1 Rb Rb3 1 0.00000000 0.00000000 0.00000000 1 Sb Sb4 1 2.47404888 2.47404888 2.47404888 1 [/CIF]
F3RbSb
Pm-3m
221
cubic
m-3m
3,621.636998
false
[CIF] data_ScSi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12380454 _cell_length_b 5.12380454 _cell_length_c 2.88984392 _cell_angle_alpha 101.92955625 _cell_angle_beta 101.92955625 _cell_angle_gamma 112.99852101 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSi2Pt _chemical_formula_sum 'Sc1 Si2 Pt1' _cell_volume 64.75522636 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.82807238 0.00000000 0.00000000 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 0.87290115 2.13631573 1.33976578 1 Si Si3 1 0.87290115 -2.13631573 1.33976578 1 [/CIF]
PtScSi2
C2/m
12
monoclinic
2/m
7,595.831548
false
[CIF] data_Te2AuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09912843 _cell_length_b 5.09912843 _cell_length_c 5.09912843 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te2AuSe _chemical_formula_sum 'Te2 Au1 Se1' _cell_volume 93.75034042 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.60562829 3.60562829 3.60562829 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.80281414 1.80281414 1.80281414 1 Te Te3 1 5.40844243 5.40844243 5.40844243 1 [/CIF]
AuSeTe2
Fm-3m
225
cubic
m-3m
9,407.500956
false
[CIF] data_Sm(FeSi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58488675 _cell_length_b 5.58488675 _cell_length_c 5.58488675 _cell_angle_alpha 138.00552546 _cell_angle_beta 138.00552546 _cell_angle_gamma 60.89453619 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm(FeSi)2 _chemical_formula_sum 'Sm1 Fe2 Si2' _cell_volume 77.12725856 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.00000000 0.00000000 0.00000000 1 Fe Fe1 1 2.00119300 -0.00000000 2.40735400 1 Fe Fe2 1 -0.00000000 2.00119300 2.40735400 1 Si Si3 1 0.00000000 0.00000000 6.14190152 1 Si Si4 1 -0.00000000 0.00000000 3.48751448 1 [/CIF]
Fe2Si2Sm
I4/mmm
139
tetragonal
4/mmm
6,851.253528
false
[CIF] data_TaZn2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.62744598 _cell_length_b 9.62744598 _cell_length_c 9.62744598 _cell_angle_alpha 17.80411435 _cell_angle_beta 17.80411435 _cell_angle_gamma 17.80411435 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZn2Hg _chemical_formula_sum 'Ta1 Zn2 Hg1' _cell_volume 72.83090537 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.20875726 1 Ta Ta1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 -0.00000000 0.00000000 21.21021391 1 Zn Zn3 1 -0.00000000 0.00000000 7.20730062 1 [/CIF]
HgTaZn2
R-3m
166
trigonal
-3m
11,680.352431
false
[CIF] data_Si2NiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53196512 _cell_length_b 4.53196512 _cell_length_c 4.53196512 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2NiSn _chemical_formula_sum 'Si2 Ni1 Sn1' _cell_volume 65.81799962 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.20458327 3.20458327 3.20458327 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 4.80687490 4.80687490 4.80687490 1 Sn Sn3 1 1.60229164 1.60229164 1.60229163 1 [/CIF]
NiSi2Sn
F-43m
216
cubic
-43m
5,892.907994
false
[CIF] data_Mg3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44660469 _cell_length_b 7.83544499 _cell_length_c 8.04793298 _cell_angle_alpha 79.61086592 _cell_angle_beta 74.54128037 _cell_angle_gamma 89.95328437 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3Si4 _chemical_formula_sum 'Mg6 Si8' _cell_volume 265.49394883 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 2.08350723 2.01032989 2.98729048 1 Mg Mg1 1 4.28485727 1.90020291 5.44978999 1 Mg Mg2 1 4.26313620 4.45369050 7.24935311 1 Mg Mg3 1 4.33015747 5.65251704 0.17735099 1 Mg Mg4 1 4.28034067 4.74054670 3.90967717 1 Mg Mg5 1 4.33095100 0.87781084 0.52792285 1 Si Si6 1 2.04169694 5.82802681 5.48526933 1 Si Si7 1 4.26379854 6.91921207 5.79253597 1 Si Si8 1 4.31759808 3.39294693 1.62319513 1 Si Si9 1 2.09970266 4.98066095 1.76160724 1 Si Si10 1 2.05967996 3.44520680 5.50442634 1 Si Si11 1 2.05587017 6.80143370 3.32346792 1 Si Si12 1 4.27755244 7.85969743 3.49165188 1 Si Si13 1 2.10724967 7.02731023 0.31691374 1 [/CIF]
Mg6Si8
P1
1
triclinic
1
2,317.38981
false
[CIF] data_VNi2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.63086570 _cell_length_b 2.63086570 _cell_length_c 7.30642938 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VNi2Pd _chemical_formula_sum 'V1 Ni2 Pd1' _cell_volume 50.57111728 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.31543285 1.31543285 1.71339386 1 Ni Ni1 1 1.31543285 1.31543285 5.59303552 1 Pd Pd2 1 0.00000000 0.00000000 3.65321469 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ni2PdV
P4/mmm
123
tetragonal
4/mmm
9,021.558355
false
[CIF] data_Fe6Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.79582474 _cell_length_b 8.79582474 _cell_length_c 8.79582474 _cell_angle_alpha 33.45438159 _cell_angle_beta 33.45438159 _cell_angle_gamma 33.45438159 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe6Ir7 _chemical_formula_sum 'Fe6 Ir7' _cell_volume 184.17576290 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.59311642 1 Fe Fe1 1 0.00000000 0.00000000 11.29448282 1 Fe Fe2 1 0.00000000 0.00000000 16.31842202 1 Fe Fe3 1 0.00000000 0.00000000 8.56917722 1 Fe Fe4 1 0.00000000 -0.00000000 20.79335024 1 Fe Fe5 1 -0.00000000 0.00000000 4.09424900 1 Ir Ir6 1 -1.24941771 0.72135165 6.19079836 1 Ir Ir7 1 0.00000000 -1.44270330 6.19079836 1 Ir Ir8 1 1.24941771 0.72135165 6.19079836 1 Ir Ir9 1 1.24941771 -0.72135165 18.69680088 1 Ir Ir10 1 -1.24941771 -0.72135165 18.69680088 1 Ir Ir11 1 0.00000000 1.44270330 18.69680088 1 Ir Ir12 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
Fe6Ir7
R-3m
166
trigonal
-3m
15,152.285213
false
[CIF] data_MgInB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13180854 _cell_length_b 5.94174298 _cell_length_c 3.12739552 _cell_angle_alpha 78.37969049 _cell_angle_beta 71.64844601 _cell_angle_gamma 29.97186351 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgInB _chemical_formula_sum 'Mg1 In1 B1' _cell_volume 53.41318100 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93466230 2.45717002 11.18587643 1 In In1 1 1.93466230 2.45717002 7.15411174 1 Mg Mg2 1 1.93466230 2.45717002 4.13182223 1 [/CIF]
BInMg
Fmm2
42
orthorhombic
mm2
4,661.232673
false
[CIF] data_BaTiGaPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95372138 _cell_length_b 4.95372138 _cell_length_c 4.95372138 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTiGaPd _chemical_formula_sum 'Ba1 Ti1 Ga1 Pd1' _cell_volume 85.95669939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75140499 1.75140499 1.75140499 1 Ga Ga1 1 5.25421497 5.25421497 5.25421497 1 Pd Pd2 1 3.50280998 3.50280998 3.50280998 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaGaPdTi
F-43m
216
cubic
-43m
6,980.423969
false
[CIF] data_CuTcTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73267813 _cell_length_b 4.73267813 _cell_length_c 4.73267813 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuTcTe2 _chemical_formula_sum 'Cu1 Tc1 Te2' _cell_volume 74.95591495 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 3.34650880 3.34650880 3.34650880 1 Te Te2 1 5.01976320 5.01976320 5.01976320 1 Te Te3 1 1.67325440 1.67325440 1.67325440 1 [/CIF]
CuTcTe2
Fm-3m
225
cubic
m-3m
9,252.475869
false
[CIF] data_Tl2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34445444 _cell_length_b 6.34445444 _cell_length_c 6.34445444 _cell_angle_alpha 147.41433399 _cell_angle_beta 140.50889282 _cell_angle_gamma 52.09816607 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2Cd _chemical_formula_sum 'Tl2 Cd1' _cell_volume 86.98457602 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tl Tl1 1 0.00000000 0.00000000 3.88602309 1 Tl Tl2 1 0.00000000 0.00000000 7.51392335 1 [/CIF]
CdTl2
Immm
71
orthorhombic
mmm
9,949.301416
false
[CIF] data_SrCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72498132 _cell_length_b 3.72498132 _cell_length_c 4.49911807 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCl _chemical_formula_sum 'Sr1 Cl1' _cell_volume 62.42744905 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Sr Sr1 1 1.86249066 1.86249066 2.24955903 1 [/CIF]
ClSr
P4/mmm
123
tetragonal
4/mmm
3,273.680531
false
[CIF] data_ZrFeSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59880877 _cell_length_b 5.59880877 _cell_length_c 5.59880877 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrFeSe4 _chemical_formula_sum 'Zr1 Fe1 Se4' _cell_volume 124.10003544 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 4.95063524 4.95063524 2.96727606 1 Se Se2 1 4.95063524 2.96727606 4.95063524 1 Se Se3 1 2.96727606 4.95063524 4.95063524 1 Se Se4 1 2.96727606 2.96727606 2.96727606 1 Zr Zr5 1 5.93843348 5.93843348 5.93843348 1 [/CIF]
FeSe4Zr
F-43m
216
cubic
-43m
6,194.02304
false
[CIF] data_ReIr2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75257119 _cell_length_b 4.75257119 _cell_length_c 4.74040132 _cell_angle_alpha 99.58970728 _cell_angle_beta 99.58970728 _cell_angle_gamma 33.47156894 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReIr2Os _chemical_formula_sum 'Re1 Ir2 Os1' _cell_volume 58.15181678 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.61750013 -0.00000000 1.17021334 1 Ir Ir1 1 1.66039081 -0.00000000 3.49790969 1 Os Os2 1 4.13894547 -0.00000000 2.33406152 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir2OsRe
C2/m
12
monoclinic
2/m
21,726.853778
false
[CIF] data_KTiCo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37302063 _cell_length_b 4.37302063 _cell_length_c 4.37302063 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTiCo3 _chemical_formula_sum 'K1 Ti1 Co3' _cell_volume 83.62662665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 0.00000000 2.18651032 0.00000000 1 Co Co2 1 0.00000000 0.00000000 2.18651032 1 Co Co3 1 2.18651032 0.00000000 0.00000000 1 Ti Ti4 1 2.18651032 2.18651032 2.18651032 1 [/CIF]
Co3KTi
Pm-3m
221
cubic
m-3m
5,237.469374
false
[CIF] data_MoC5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.53234792 _cell_length_b 6.90971285 _cell_length_c 6.90971285 _cell_angle_alpha 21.89576932 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoC5 _chemical_formula_sum 'Mo1 C5' _cell_volume 45.08771221 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.00000000 0.34758615 1 C C1 1 0.00000000 0.00000000 7.97363716 1 C C2 1 0.00000000 -0.00000000 3.90983971 1 C C3 1 1.26617396 0.00000000 8.88597957 1 C C4 1 1.26617396 0.00000000 2.99812849 1 Mo Mo5 1 1.26617396 0.00000000 12.06594039 1 [/CIF]
C5Mo
Amm2
38
orthorhombic
mm2
5,745.834042
false
[CIF] data_VZnCdCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32641352 _cell_length_b 4.32641352 _cell_length_c 4.32641352 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZnCdCo _chemical_formula_sum 'V1 Zn1 Cd1 Co1' _cell_volume 57.26233907 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.58885451 4.58885451 4.58885451 1 Co Co1 1 1.52961817 1.52961817 1.52961817 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 3.05923634 3.05923634 3.05923634 1 [/CIF]
CdCoVZn
F-43m
216
cubic
-43m
8,341.959697
false
[CIF] data_BaNb2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50882214 _cell_length_b 4.50882214 _cell_length_c 4.31465053 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNb2Ga _chemical_formula_sum 'Ba1 Nb2 Ga1' _cell_volume 87.71458910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.25441107 2.25441107 0.00000000 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 0.00000000 2.25441107 2.15732526 1 Nb Nb3 1 2.25441107 0.00000000 2.15732526 1 [/CIF]
BaGaNb2
P4/mmm
123
tetragonal
4/mmm
7,437.348421
false
[CIF] data_NaY2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34926366 _cell_length_b 6.34926366 _cell_length_c 6.34926366 _cell_angle_alpha 145.20521827 _cell_angle_beta 127.79640580 _cell_angle_gamma 64.27458932 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaY2Ga _chemical_formula_sum 'Na1 Y2 Ga1' _cell_volume 114.04763803 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.37640311 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 -0.00000000 2.79346862 2.30203301 1 Y Y3 1 1.89841293 0.00000000 3.07437010 1 [/CIF]
GaNaY2
Immm
71
orthorhombic
mmm
3,938.849217
false
[CIF] data_MgTc2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90586081 _cell_length_b 2.90586081 _cell_length_c 8.78101215 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.31829105 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTc2Sn _chemical_formula_sum 'Mg1 Tc2 Sn1' _cell_volume 69.07360466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 0.00000000 0.00000000 4.39050607 1 Tc Tc2 1 1.63923953 0.00000000 6.54801718 1 Tc Tc3 1 1.63923953 0.00000000 2.23299497 1 [/CIF]
MgSnTc2
Cmmm
65
orthorhombic
mmm
8,193.538117
false
[CIF] data_CaZrRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69105944 _cell_length_b 4.69105944 _cell_length_c 4.69105944 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZrRh2 _chemical_formula_sum 'Ca1 Zr1 Rh2' _cell_volume 72.99578939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 3.31707994 3.31707994 3.31707994 1 Rh Rh2 1 1.65853997 1.65853997 1.65853997 1 Zr Zr3 1 4.97561991 4.97561991 4.97561991 1 [/CIF]
CaRh2Zr
F-43m
216
cubic
-43m
7,668.788995
false
[CIF] data_NaZn4Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53501513 _cell_length_b 5.53501513 _cell_length_c 5.53501513 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZn4Bi _chemical_formula_sum 'Na1 Zn4 Bi1' _cell_volume 119.90614442 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 5.87077010 5.87077010 5.87077010 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 4.90017997 4.90017997 2.92751349 1 Zn Zn3 1 4.90017997 2.92751349 4.90017997 1 Zn Zn4 1 2.92751349 4.90017997 4.90017997 1 Zn Zn5 1 2.92751349 2.92751349 2.92751349 1 [/CIF]
BiNaZn4
F-43m
216
cubic
-43m
6,834.176089
false
[CIF] data_Nb2CdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11554683 _cell_length_b 5.11554683 _cell_length_c 2.86469430 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.03916549 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2CdRh _chemical_formula_sum 'Nb2 Cd1 Rh1' _cell_volume 68.98622232 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.82200136 0.00000000 0.00000000 1 Nb Nb1 1 1.41100068 -2.13337337 1.43234715 1 Nb Nb2 1 1.41100068 2.13337337 1.43234715 1 Rh Rh3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
CdNb2Rh
Cmmm
65
orthorhombic
mmm
9,655.417917
false
[CIF] data_MgInCuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62450764 _cell_length_b 4.62450764 _cell_length_c 4.62450764 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgInCuW _chemical_formula_sum 'Mg1 In1 Cu1 W1' _cell_volume 69.93289471 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.63501036 1.63501036 1.63501036 1 In In1 1 4.90503106 4.90503106 4.90503106 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.27002071 3.27002071 3.27002071 1 [/CIF]
CuInMgW
F-43m
216
cubic
-43m
9,177.559384
false
[CIF] data_V2SiCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42193316 _cell_length_b 4.42193316 _cell_length_c 2.81290969 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2SiCl _chemical_formula_sum 'V2 Si1 Cl1' _cell_volume 55.00220957 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.21096658 2.21096658 0.00000000 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 0.00000000 2.21096658 1.40645485 1 V V3 1 2.21096658 0.00000000 1.40645485 1 [/CIF]
ClSiV2
P4/mmm
123
tetragonal
4/mmm
4,994.142333
false
[CIF] data_ZnSnPt4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35488826 _cell_length_b 5.35488826 _cell_length_c 5.35488826 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnSnPt4 _chemical_formula_sum 'Zn1 Sn1 Pt4' _cell_volume 108.57660062 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.83859586 4.73435974 2.83859586 1 Pt Pt1 1 4.73435974 2.83859586 2.83859586 1 Pt Pt2 1 4.73435974 4.73435974 4.73435974 1 Pt Pt3 1 2.83859586 2.83859586 4.73435974 1 Sn Sn4 1 1.89323890 1.89323890 1.89323890 1 Zn Zn5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pt4SnZn
F-43m
216
cubic
-43m
14,749.651772
false
[CIF] data_MoPtBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37317353 _cell_length_b 4.37317353 _cell_length_c 4.37317353 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoPtBr _chemical_formula_sum 'Mo1 Pt1 Br1' _cell_volume 59.13915775 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 1.54615033 1.54615033 1.54615033 1 Pt Pt2 1 3.09230066 3.09230066 3.09230066 1 [/CIF]
BrMoPt
F-43m
216
cubic
-43m
10,415.664834
false
[CIF] data_NaCaBeAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91544370 _cell_length_b 4.91544370 _cell_length_c 4.91544370 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCaBeAg _chemical_formula_sum 'Na1 Ca1 Be1 Ag1' _cell_volume 83.97947971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73787178 1.73787178 1.73787179 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Ca Ca2 1 3.47574357 3.47574357 3.47574357 1 Na Na3 1 5.21361535 5.21361535 5.21361535 1 [/CIF]
AgBeCaNa
F-43m
216
cubic
-43m
3,558.142253
false
[CIF] data_Li2IrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89264674 _cell_length_b 4.33854244 _cell_length_c 4.69709983 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2IrW _chemical_formula_sum 'Li2 Ir1 W1' _cell_volume 58.94799528 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.16927122 2.34854991 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 1.44632337 2.16927122 0.00000000 1 W W3 1 1.44632337 0.00000000 2.34854991 1 [/CIF]
IrLi2W
Pmmm
47
orthorhombic
mmm
10,984.409903
false
[CIF] data_MgAs2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83101124 _cell_length_b 4.83101124 _cell_length_c 4.83101124 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAs2Cl _chemical_formula_sum 'Mg1 As2 Cl1' _cell_volume 79.72584791 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.12406122 5.12406122 5.12406122 1 As As1 1 3.41604081 3.41604081 3.41604081 1 Cl Cl2 1 1.70802041 1.70802040 1.70802041 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2ClMg
F-43m
216
cubic
-43m
4,365.597734
false
[CIF] data_Rb(BH)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.71490304 _cell_length_b 7.71490304 _cell_length_c 7.71490304 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb(BH)6 _chemical_formula_sum 'Rb2 B12 H12' _cell_volume 324.69561127 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rb Rb0 1 2.72763013 2.72763013 2.72763013 1 Rb Rb1 1 8.18289038 8.18289038 8.18289038 1 B B2 1 4.56731845 1.44183620 5.45526025 1 B B3 1 6.34320206 1.44183620 5.45526025 1 B B4 1 1.44183620 5.45526025 4.56731845 1 B B5 1 5.45526025 6.34320206 9.46868431 1 B B6 1 9.46868431 5.45526025 6.34320206 1 B B7 1 9.46868431 5.45526025 4.56731845 1 B B8 1 5.45526025 6.34320206 1.44183620 1 B B9 1 5.45526025 4.56731845 1.44183620 1 B B10 1 1.44183620 5.45526025 6.34320206 1 B B11 1 6.34320206 9.46868431 5.45526025 1 B B12 1 4.56731845 9.46868431 5.45526025 1 B B13 1 5.45526025 4.56731845 9.46868431 1 H H14 1 6.96588728 2.47292403 5.45526025 1 H H15 1 3.94463323 2.47292403 5.45526025 1 H H16 1 2.47292403 5.45526025 3.94463323 1 H H17 1 5.45526025 6.96588728 8.43759648 1 H H18 1 8.43759648 5.45526025 6.96588728 1 H H19 1 8.43759648 5.45526025 3.94463323 1 H H20 1 5.45526025 6.96588728 2.47292403 1 H H21 1 5.45526025 3.94463323 2.47292403 1 H H22 1 2.47292403 5.45526025 6.96588728 1 H H23 1 6.96588728 8.43759648 5.45526025 1 H H24 1 3.94463323 8.43759648 5.45526025 1 H H25 1 5.45526025 3.94463323 8.43759648 1 [/CIF]
B12H12Rb2
Fm-3
202
cubic
m-3
1,599.513399
false
[CIF] data_Y2MgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32061919 _cell_length_b 6.32061919 _cell_length_c 6.32061919 _cell_angle_alpha 148.20862266 _cell_angle_beta 133.40506505 _cell_angle_gamma 57.51194780 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2MgRh _chemical_formula_sum 'Y2 Mg1 Rh1' _cell_volume 95.91827046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.13192388 1 Rh Rh1 1 -0.00000000 2.49983590 2.73864332 1 Y Y2 1 -0.00000000 0.00000000 10.54478022 1 Y Y3 1 1.73113448 0.00000000 2.74920827 1 [/CIF]
MgRhY2
Imm2
44
orthorhombic
mm2
5,280.550586
false
[CIF] data_InMoPtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65655810 _cell_length_b 4.65655810 _cell_length_c 4.65655810 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InMoPtAu _chemical_formula_sum 'In1 Mo1 Pt1 Au1' _cell_volume 71.39701919 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.93902572 4.93902572 4.93902572 1 In In1 1 3.29268381 3.29268381 3.29268381 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 1.64634191 1.64634191 1.64634191 1 [/CIF]
AuInMoPt
F-43m
216
cubic
-43m
14,020.478735
false
[CIF] data_KInOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82324267 _cell_length_b 2.82324267 _cell_length_c 9.85959888 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KInOs2 _chemical_formula_sum 'K1 In1 Os2' _cell_volume 78.58789665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 4.92979944 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.41162134 1.41162134 2.85202198 1 Os Os3 1 1.41162134 1.41162134 7.00757690 1 [/CIF]
InKOs2
P4/mmm
123
tetragonal
4/mmm
11,291.213537
false
[CIF] data_CaHfZr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09445756 _cell_length_b 5.09445756 _cell_length_c 5.09445756 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHfZr _chemical_formula_sum 'Ca1 Hf1 Zr1' _cell_volume 93.49294694 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.60232549 3.60232549 3.60232549 1 Zr Zr2 1 1.80116275 1.80116275 1.80116275 1 [/CIF]
CaHfZr
F-43m
216
cubic
-43m
5,502.251618
false
[CIF] data_BaNa2Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70922399 _cell_length_b 5.70922399 _cell_length_c 5.70922399 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNa2Ti _chemical_formula_sum 'Ba1 Na2 Ti1' _cell_volume 131.58798864 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.03703100 4.03703100 4.03703100 1 Na Na1 1 2.01851550 2.01851550 2.01851550 1 Na Na2 1 6.05554650 6.05554650 6.05554650 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaNa2Ti
Fm-3m
225
cubic
m-3m
2,917.232005
false
[CIF] data_LiBN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31957441 _cell_length_b 3.31957441 _cell_length_c 3.31957441 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBN3 _chemical_formula_sum 'Li1 B1 N3' _cell_volume 36.58029673 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65978721 1.65978721 1.65978721 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 N N2 1 1.65978721 0.00000000 1.65978721 1 N N3 1 1.65978721 1.65978721 0.00000000 1 N N4 1 0.00000000 1.65978721 1.65978721 1 [/CIF]
BLiN3
Pm-3m
221
cubic
m-3m
2,713.316075
false
[CIF] data_Bi2BSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22760096 _cell_length_b 5.22760096 _cell_length_c 5.22760096 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2BSb _chemical_formula_sum 'Bi2 B1 Sb1' _cell_volume 101.01649369 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 5.54470814 5.54470814 5.54470813 1 Bi Bi2 1 1.84823605 1.84823605 1.84823605 1 Sb Sb3 1 3.69647209 3.69647209 3.69647209 1 [/CIF]
BBi2Sb
Fm-3m
225
cubic
m-3m
9,049.804917
false
[CIF] data_SrHfP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99587420 _cell_length_b 3.99587420 _cell_length_c 5.54271538 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHfP2 _chemical_formula_sum 'Sr1 Hf1 P2' _cell_volume 88.50059548 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.99793710 1.99793710 0.00000000 1 P P1 1 1.99793710 1.99793710 2.77135769 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 2.77135769 1 [/CIF]
HfP2Sr
P4/mmm
123
tetragonal
4/mmm
6,155.356195
false
[CIF] data_ZnPtBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32099142 _cell_length_b 3.32099142 _cell_length_c 5.93286002 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnPtBr _chemical_formula_sum 'Zn1 Pt1 Br1' _cell_volume 56.66700264 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 1.91737530 5.77723303 1 Pt Pt1 1 1.66049570 0.95868766 2.19291131 1 Zn Zn2 1 0.00000000 0.00000000 3.89557569 1 [/CIF]
BrPtZn
P3m1
156
trigonal
3m
9,973.959008
false
[CIF] data_NaTc2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70183360 _cell_length_b 3.70183360 _cell_length_c 4.52103900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTc2Pt _chemical_formula_sum 'Na1 Tc2 Pt1' _cell_volume 61.95438346 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 1.85091680 1.85091680 0.00000000 1 Tc Tc2 1 1.85091680 0.00000000 2.26051950 1 Tc Tc3 1 0.00000000 1.85091680 2.26051950 1 [/CIF]
NaPtTc2
P4/mmm
123
tetragonal
4/mmm
11,146.834054
false
[CIF] data_KBaRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34263564 _cell_length_b 5.34263564 _cell_length_c 5.34263564 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBaRu _chemical_formula_sum 'K1 Ba1 Ru1' _cell_volume 107.83299628 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.66672083 5.66672083 5.66672083 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 1.88890694 1.88890694 1.88890694 1 [/CIF]
BaKRu
F-43m
216
cubic
-43m
4,273.198393
false
[CIF] data_ZrBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45133703 _cell_length_b 3.45133703 _cell_length_c 10.03640763 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBr _chemical_formula_sum 'Zr2 Br2' _cell_volume 103.53416010 _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 Zr Zr0 1 1.72566851 0.99631518 6.25493492 1 Zr Zr1 1 0.00000000 1.99263036 3.78147270 1 Br Br2 1 1.72566851 0.99631518 1.83152165 1 Br Br3 1 0.00000000 1.99263036 8.20488598 1 [/CIF]
Br2Zr2
P-3m1
164
trigonal
-3m
5,489.285726
false
[CIF] data_ZnSnAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08342983 _cell_length_b 4.23129556 _cell_length_c 7.48947328 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.75466342 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnSnAs2 _chemical_formula_sum 'Zn1 Sn1 As2' _cell_volume 96.82082449 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59261800 2.11564778 6.22983711 1 As As1 1 1.77333300 0.00000000 1.86754460 1 Sn Sn2 1 2.03998969 2.11564778 3.52663086 1 Zn Zn3 1 -0.22378225 0.00000000 6.92844103 1 [/CIF]
As2SnZn
Pm
6
monoclinic
m
5,727.167963
false
[CIF] data_CuNiSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55073578 _cell_length_b 5.55073578 _cell_length_c 5.55073578 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuNiSe4 _chemical_formula_sum 'Cu1 Ni1 Se4' _cell_volume 120.93072791 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.88744437 5.88744437 5.88744437 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 4.90763345 4.90763345 2.94229237 1 Se Se3 1 4.90763345 2.94229237 4.90763345 1 Se Se4 1 2.94229237 4.90763345 4.90763345 1 Se Se5 1 2.94229237 2.94229237 2.94229237 1 [/CIF]
CuNiSe4
F-43m
216
cubic
-43m
6,015.410397
false
[CIF] data_FeTc2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71436928 _cell_length_b 2.71436928 _cell_length_c 7.85826208 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeTc2Au _chemical_formula_sum 'Fe1 Tc2 Au1' _cell_volume 57.89810813 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.35718464 1.35718464 4.03456086 1 Fe Fe1 1 0.00000000 0.00000000 6.07958579 1 Tc Tc2 1 1.35718464 1.35718464 7.66685250 1 Tc Tc3 1 0.00000000 0.00000000 1.86465605 1 [/CIF]
AuFeTc2
P4mm
99
tetragonal
4mm
12,924.561785
false
[CIF] data_PuPt2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60614166 _cell_length_b 4.60614166 _cell_length_c 4.60614166 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PuPt2Rh _chemical_formula_sum 'Pu1 Pt2 Rh1' _cell_volume 69.10299525 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62851700 1.62851700 1.62851700 1 Pt Pt1 1 4.88555100 4.88555100 4.88555100 1 Pu Pu2 1 3.25703400 3.25703400 3.25703400 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pt2PuRh
Fm-3m
225
cubic
m-3m
17,711.813175
false