Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files
xet
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_AgBiSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88338064 _cell_length_b 3.88338064 _cell_length_c 7.06193450 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.53202285 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgBiSe2 _chemical_formula_sum 'Ag1 Bi1 Se2' _cell_volume 105.57963295 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 4.07260174 1 Bi Bi1 1 2.55967476 0.00000000 1.63170566 1 Se Se2 1 0.00000000 0.00000000 0.48923945 1 Se Se3 1 2.55967476 0.00000000 4.39935483 1 [/CIF]
AgBiSe2
Cmm2
35
orthorhombic
mm2
7,467.082295
false
[CIF] data_Ta2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.15298353 _cell_length_b 7.15298353 _cell_length_c 4.57759803 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 153.64217384 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2Mo _chemical_formula_sum 'Ta4 Mo2' _cell_volume 103.98515728 _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 Mo Mo0 1 1.63082690 2.36428971 0.00000000 1 Mo Mo1 1 1.63082690 -2.36428971 0.00000000 1 Ta Ta2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.63082690 -4.65364860 2.28879901 1 Ta Ta4 1 1.63082690 0.00000000 2.28879901 1 Ta Ta5 1 1.63082690 4.65364860 2.28879901 1 [/CIF]
Mo2Ta4
Cmmm
65
orthorhombic
mmm
14,622.998055
false
[CIF] data_AlAg2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82937241 _cell_length_b 3.64198436 _cell_length_c 6.39417979 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlAg2Mo _chemical_formula_sum 'Al1 Ag2 Mo1' _cell_volume 65.88901789 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 6.38379558 1 Ag Ag1 1 1.41468620 1.82099218 1.68118473 1 Al Al2 1 0.00000000 0.00000000 3.24154844 1 Mo Mo3 1 1.41468620 1.82099218 4.67892073 1 [/CIF]
Ag2AlMo
Pmm2
25
orthorhombic
mm2
8,535.382163
false
[CIF] data_NaCuNiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51914021 _cell_length_b 4.51914021 _cell_length_c 4.51914021 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCuNiSn _chemical_formula_sum 'Na1 Cu1 Ni1 Sn1' _cell_volume 65.26080864 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59775734 1.59775734 1.59775735 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 3.19551469 3.19551469 3.19551469 1 Sn Sn3 1 4.79327204 4.79327204 4.79327204 1 [/CIF]
CuNaNiSn
F-43m
216
cubic
-43m
6,715.84234
false
[CIF] data_BeOs2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43777802 _cell_length_b 5.43777802 _cell_length_c 5.43777802 _cell_angle_alpha 150.81949632 _cell_angle_beta 134.56645814 _cell_angle_gamma 54.91268284 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeOs2Au _chemical_formula_sum 'Be1 Os2 Au1' _cell_volume 55.51969677 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 -0.00000000 -0.00000000 4.82527987 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 -0.00000000 2.09993969 2.83977689 1 Os Os3 1 1.36980190 -0.00000000 1.98550298 1 [/CIF]
AuBeOs2
Immm
71
orthorhombic
mmm
17,539.80142
false
[CIF] data_AsPb7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00424711 _cell_length_b 7.00424711 _cell_length_c 7.00424711 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsPb7 _chemical_formula_sum 'As1 Pb7' _cell_volume 242.97935862 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 2.47637531 4.95275063 2.47637532 1 Pb Pb2 1 4.95275063 2.47637532 2.47637532 1 Pb Pb3 1 2.47637532 2.47637532 0.00000000 1 Pb Pb4 1 2.47637532 0.00000000 2.47637532 1 Pb Pb5 1 0.00000000 2.47637532 2.47637532 1 Pb Pb6 1 2.47637532 2.47637532 4.95275063 1 Pb Pb7 1 4.95275063 4.95275063 4.95275063 1 [/CIF]
AsPb7
Fm-3m
225
cubic
m-3m
10,424.161626
false
[CIF] data_AlCu2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78060559 _cell_length_b 5.78060559 _cell_length_c 5.78060559 _cell_angle_alpha 143.12551451 _cell_angle_beta 143.12551451 _cell_angle_gamma 53.13698418 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCu2Br _chemical_formula_sum 'Al1 Cu2 Br1' _cell_volume 69.12199718 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 1.82820755 -0.00000000 2.58508778 1 Cu Cu2 1 0.00000000 -0.00000000 5.17017556 1 Cu Cu3 1 0.00000000 1.82820755 2.58508778 1 [/CIF]
AlBrCu2
I-4m2
119
tetragonal
-42m
5,620.914606
false
[CIF] data_NbB3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95912938 _cell_length_b 2.95912938 _cell_length_c 4.05611207 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbB3 _chemical_formula_sum 'Nb1 B3' _cell_volume 35.51712898 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47956469 0.00000000 3.49259995 1 B B1 1 0.00000000 0.00000000 2.48371849 1 B B2 1 0.00000000 1.47956469 3.49259995 1 Nb Nb3 1 1.47956469 1.47956469 1.35170860 1 [/CIF]
B3Nb
P4mm
99
tetragonal
4mm
5,860.017729
false
[CIF] data_As2PbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71347593 _cell_length_b 5.71347593 _cell_length_c 5.46005167 _cell_angle_alpha 111.26466604 _cell_angle_beta 111.26466604 _cell_angle_gamma 37.42721318 _symmetry_Int_Tables_number 1 _chemical_formula_structural As2PbAu _chemical_formula_sum 'As2 Pb1 Au1' _cell_volume 100.06771737 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.27287028 0.00000000 0.71835896 1 As As1 1 7.57190470 0.00000000 1.31058640 1 Au Au2 1 4.09406941 0.00000000 1.89996293 1 Pb Pb3 1 1.15929501 0.00000000 3.63693381 1 [/CIF]
As2AuPb
Cm
8
monoclinic
m
9,193.323171
false
[CIF] data_Zr2GePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96142042 _cell_length_b 4.96142042 _cell_length_c 3.18974163 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.98952100 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2GePd _chemical_formula_sum 'Zr2 Ge1 Pd1' _cell_volume 75.09104656 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 2.95153062 0.00000000 0.00000000 1 Zr Zr2 1 1.47576531 -1.99400098 1.59487081 1 Zr Zr3 1 1.47576531 1.99400097 1.59487081 1 [/CIF]
GePdZr2
Cmmm
65
orthorhombic
mmm
7,994.270747
false
[CIF] data_BaYMnCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31016696 _cell_length_b 5.31016696 _cell_length_c 5.31016696 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYMnCu _chemical_formula_sum 'Ba1 Y1 Mn1 Cu1' _cell_volume 105.87892712 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.63228261 5.63228261 5.63228261 1 Cu Cu1 1 3.75485507 3.75485507 3.75485507 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 1.87742754 1.87742754 1.87742754 1 [/CIF]
BaCuMnY
F-43m
216
cubic
-43m
5,406.324815
false
[CIF] data_La2AsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31012050 _cell_length_b 5.31012050 _cell_length_c 5.31012050 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2AsAu _chemical_formula_sum 'La2 As1 Au1' _cell_volume 105.87614807 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 3.75482222 3.75482222 3.75482222 1 La La2 1 5.63223333 5.63223333 5.63223333 1 La La3 1 1.87741111 1.87741111 1.87741111 1 [/CIF]
AsAuLa2
Fm-3m
225
cubic
m-3m
8,621.59645
false
[CIF] data_KFeW3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42815498 _cell_length_b 4.42815498 _cell_length_c 4.42815498 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KFeW3 _chemical_formula_sum 'K1 Fe1 W3' _cell_volume 86.82972724 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 2.21407749 2.21407749 2.21407749 1 W W2 1 0.00000000 2.21407749 0.00000000 1 W W3 1 0.00000000 0.00000000 2.21407749 1 W W4 1 2.21407749 0.00000000 0.00000000 1 [/CIF]
FeKW3
Pm-3m
221
cubic
m-3m
12,363.018968
false
[CIF] data_CsKFe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99725594 _cell_length_b 4.99725594 _cell_length_c 4.99725594 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsKFe3 _chemical_formula_sum 'Cs1 K1 Fe3' _cell_volume 124.79430843 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 2.49862797 2.49862797 2.49862797 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 0.00000000 2.49862797 0.00000000 1 Fe Fe3 1 0.00000000 0.00000000 2.49862797 1 Fe Fe4 1 2.49862797 0.00000000 0.00000000 1 [/CIF]
CsFe3K
Pm-3m
221
cubic
m-3m
4,517.97337
false
[CIF] data_Cs2CaTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79112707 _cell_length_b 6.79112707 _cell_length_c 6.79112707 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2CaTl _chemical_formula_sum 'Cs2 Ca1 Tl1' _cell_volume 221.46778977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cs Cs1 1 2.40102600 2.40102600 2.40102600 1 Cs Cs2 1 7.20307800 7.20307800 7.20307800 1 Tl Tl3 1 4.80205200 4.80205200 4.80205200 1 [/CIF]
CaCs2Tl
Fm-3m
225
cubic
m-3m
3,825.960109
false
[CIF] data_TaV2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12163169 _cell_length_b 5.12163169 _cell_length_c 5.12163169 _cell_angle_alpha 140.36572247 _cell_angle_beta 127.67112150 _cell_angle_gamma 67.58825261 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaV2In _chemical_formula_sum 'Ta1 V2 In1' _cell_volume 66.76063569 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Ta Ta1 1 -0.00000000 -0.00000000 4.25628845 1 V V2 1 1.73633224 -0.00000000 2.21404753 1 V V3 1 -0.00000000 2.25837777 2.04224092 1 [/CIF]
InTaV2
Immm
71
orthorhombic
mmm
9,890.731165
false
[CIF] data_ZnFeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17822927 _cell_length_b 4.17822927 _cell_length_c 4.17822927 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnFeAs _chemical_formula_sum 'Zn1 Fe1 As1' _cell_volume 51.57768001 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.95445425 2.95445425 2.95445425 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 4.43168138 4.43168138 4.43168138 1 [/CIF]
AsFeZn
F-43m
216
cubic
-43m
6,314.923277
false
[CIF] data_YZnGaBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17984918 _cell_length_b 5.17984918 _cell_length_c 5.17984918 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZnGaBi _chemical_formula_sum 'Y1 Zn1 Ga1 Bi1' _cell_volume 98.27348244 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83135324 1.83135324 1.83135324 1 Ga Ga1 1 5.49405972 5.49405972 5.49405972 1 Y Y2 1 3.66270648 3.66270648 3.66270648 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiGaYZn
F-43m
216
cubic
-43m
7,316.272378
false
[CIF] data_ZrReNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91828132 _cell_length_b 3.91828132 _cell_length_c 3.73941774 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrReNi2 _chemical_formula_sum 'Zr1 Re1 Ni2' _cell_volume 57.41101320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95914066 1.86970887 1 Ni Ni1 1 1.95914066 0.00000000 1.86970887 1 Re Re2 1 1.95914066 1.95914066 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ni2ReZr
P4/mmm
123
tetragonal
4/mmm
11,419.592592
false
[CIF] data_Tb2Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.38515208 _cell_length_b 7.38515208 _cell_length_c 3.30224982 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2Ti _chemical_formula_sum 'Tb4 Ti2' _cell_volume 180.10626135 _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 Tb Tb0 1 1.95644883 1.95644883 0.00000000 1 Tb Tb1 1 5.42870325 5.42870325 0.00000000 1 Tb Tb2 1 5.64902487 1.73612721 1.65112491 1 Tb Tb3 1 1.73612721 5.64902487 1.65112491 1 Ti Ti4 1 0.00000000 0.00000000 0.00000000 1 Ti Ti5 1 3.69257604 3.69257604 1.65112491 1 [/CIF]
Tb4Ti2
P4_2/mnm
136
tetragonal
4/mmm
6,743.66925
false
[CIF] data_MnNbGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89958028 _cell_length_b 4.89958028 _cell_length_c 2.89696230 _cell_angle_alpha 99.24626259 _cell_angle_beta 99.24626259 _cell_angle_gamma 106.75133211 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNbGe2 _chemical_formula_sum 'Mn1 Nb1 Ge2' _cell_volume 64.13211135 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.07132911 -1.96611382 1.39495332 1 Ge Ge1 1 1.07132911 1.96611382 1.39495332 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 2.92292195 -0.00000000 0.00000000 1 [/CIF]
Ge2MnNb
C2/m
12
monoclinic
2/m
7,589.71674
false
[CIF] data_AlVNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85747064 _cell_length_b 4.12926163 _cell_length_c 7.76113065 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlVNi _chemical_formula_sum 'Al4 V4 Ni4' _cell_volume 155.67095126 _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 Al Al0 1 0.49876110 1.03231541 2.47086863 1 Al Al1 1 1.92997422 3.09694622 6.35143396 1 Al Al2 1 4.35870954 3.09694622 5.29026202 1 Al Al3 1 2.92749642 1.03231541 1.40969669 1 Ni Ni4 1 0.84377879 1.03231541 5.09118389 1 Ni Ni5 1 1.58495653 3.09694622 1.21061857 1 Ni Ni6 1 4.01369185 3.09694622 2.66994676 1 Ni Ni7 1 3.27251411 1.03231541 6.55051208 1 V V8 1 3.10404921 1.03231541 4.18240338 1 V V9 1 4.18215675 3.09694622 0.30183805 1 V V10 1 1.75342143 3.09694622 3.57872727 1 V V11 1 0.67531389 1.03231541 7.45929260 1 [/CIF]
Al4Ni4V4
Pnma
62
orthorhombic
mmm
5,829.139774
false
[CIF] data_KNiPdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54358144 _cell_length_b 4.54358144 _cell_length_c 4.54358144 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNiPdW _chemical_formula_sum 'K1 Ni1 Pd1 W1' _cell_volume 66.32541161 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.81919588 4.81919588 4.81919588 1 Pd Pd2 1 3.21279725 3.21279725 3.21279725 1 W W3 1 1.60639863 1.60639863 1.60639862 1 [/CIF]
KNiPdW
F-43m
216
cubic
-43m
9,715.356333
false
[CIF] data_AsC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89098586 _cell_length_b 3.89098586 _cell_length_c 3.89098586 _cell_angle_alpha 123.23380672 _cell_angle_beta 123.23380672 _cell_angle_gamma 84.48457638 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsC2 _chemical_formula_sum 'As1 C2' _cell_volume 39.41899673 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 C C1 1 0.00000000 0.00000000 3.52882835 1 C C2 1 -0.00000000 0.00000000 2.23223239 1 [/CIF]
C2As
I4/mmm
139
tetragonal
4/mmm
4,168.008588
false
[CIF] data_BaIn4Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25664780 _cell_length_b 6.25664780 _cell_length_c 6.25664780 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaIn4Cu _chemical_formula_sum 'Ba1 In4 Cu1' _cell_volume 173.18494180 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 6.63617714 6.63617714 6.63617714 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 5.53400884 5.53400884 3.31422734 1 In In3 1 5.53400884 3.31422734 5.53400884 1 In In4 1 3.31422734 5.53400884 5.53400884 1 In In5 1 3.31422734 3.31422734 3.31422734 1 [/CIF]
BaCuIn4
F-43m
216
cubic
-43m
6,329.629763
false
[CIF] data_CaTiGaTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64749400 _cell_length_b 4.64749400 _cell_length_c 4.64749400 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTiGaTc _chemical_formula_sum 'Ca1 Ti1 Ga1 Tc1' _cell_volume 70.98090206 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 3.28627452 3.28627452 3.28627452 1 Tc Tc2 1 1.64313726 1.64313726 1.64313726 1 Ti Ti3 1 4.92941178 4.92941178 4.92941178 1 [/CIF]
CaGaTcTi
F-43m
216
cubic
-43m
6,002.339646
false
[CIF] data_TaC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79293927 _cell_length_b 3.79293927 _cell_length_c 6.18546197 _cell_angle_alpha 108.08331237 _cell_angle_beta 108.08331237 _cell_angle_gamma 48.45597861 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaC2 _chemical_formula_sum 'Ta2 C4' _cell_volume 62.62466837 _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 C C0 1 -0.50861326 0.00000000 3.28604937 1 C C1 1 2.91373819 0.00000000 0.49728749 1 C C2 1 1.89856456 0.00000000 5.31882715 1 C C3 1 5.32091601 0.00000000 2.53006527 1 Ta Ta4 1 3.94628326 0.00000000 4.64600255 1 Ta Ta5 1 0.86601950 -0.00000000 1.17011209 1 [/CIF]
C4Ta2
C2/m
12
monoclinic
2/m
10,869.821933
false
[CIF] data_MgCrCoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24990690 _cell_length_b 4.24990690 _cell_length_c 4.24990690 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCrCoPd _chemical_formula_sum 'Mg1 Cr1 Co1 Pd1' _cell_volume 54.27792691 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 4.50770699 4.50770699 4.50770699 1 Cr Cr1 1 3.00513799 3.00513799 3.00513799 1 Mg Mg2 1 -0.00000000 -0.00000000 0.00000000 1 Pd Pd3 1 1.50256900 1.50256900 1.50256900 1 [/CIF]
CoCrMgPd
F-43m
216
cubic
-43m
7,392.994174
false
[CIF] data_Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52629550 _cell_length_b 3.52629550 _cell_length_c 5.82768673 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pb _chemical_formula_sum Pb2 _cell_volume 62.75729775 _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 Pb Pb0 1 -0.00000000 2.03590766 1.45692168 1 Pb Pb1 1 1.76314775 1.01795383 4.37076505 1 [/CIF]
Pb2
P6_3/mmc
194
hexagonal
6/mmm
10,964.898333
false
[CIF] data_MgRhSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30721180 _cell_length_b 4.30721180 _cell_length_c 4.30721180 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgRhSe _chemical_formula_sum 'Mg1 Rh1 Se1' _cell_volume 56.50328341 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 4.56848800 4.56848801 4.56848800 1 Se Se2 1 1.52282934 1.52282934 1.52282934 1 [/CIF]
MgRhSe
F-43m
216
cubic
-43m
6,059.013724
false
[CIF] data_BaAl2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61167499 _cell_length_b 4.04378792 _cell_length_c 7.59037762 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAl2In _chemical_formula_sum 'Ba1 Al2 In1' _cell_volume 110.85630909 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80583750 2.02189396 1.37846715 1 Al Al1 1 1.80583750 2.02189396 6.21191047 1 Ba Ba2 1 0.00000000 0.00000000 3.79518881 1 In In3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2BaIn
Pmmm
47
orthorhombic
mmm
4,585.254777
false
[CIF] data_La2TcSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.57122981 _cell_length_b 9.57122981 _cell_length_c 9.57122981 _cell_angle_alpha 22.59910769 _cell_angle_beta 22.59910769 _cell_angle_gamma 22.59910769 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TcSb _chemical_formula_sum 'La2 Tc1 Sb1' _cell_volume 113.58559563 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 20.68832849 1 La La1 1 -0.00000000 0.00000000 7.28079193 1 Sb Sb2 1 -0.00000000 -0.00000000 13.98456021 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2SbTc
R-3m
166
trigonal
-3m
7,287.374422
false
[CIF] data_SrHfCrAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88546054 _cell_length_b 4.88546054 _cell_length_c 4.88546054 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHfCrAg _chemical_formula_sum 'Sr1 Hf1 Cr1 Ag1' _cell_volume 82.45206420 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72727114 1.72727114 1.72727114 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 3.45454228 3.45454228 3.45454228 1 Sr Sr3 1 5.18181342 5.18181342 5.18181342 1 [/CIF]
AgCrHfSr
F-43m
216
cubic
-43m
8,578.887301
false
[CIF] data_HfOs4Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18083192 _cell_length_b 5.18083192 _cell_length_c 5.18083192 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfOs4Pd _chemical_formula_sum 'Hf1 Os4 Pd1' _cell_volume 98.32942730 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83170069 1.83170069 1.83170069 1 Os Os1 1 2.74312479 2.74312479 4.58367797 1 Os Os2 1 2.74312479 4.58367797 2.74312479 1 Os Os3 1 4.58367797 2.74312479 2.74312479 1 Os Os4 1 4.58367797 4.58367797 4.58367797 1 Pd Pd5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfOs4Pd
F-43m
216
cubic
-43m
17,661.463305
false
[CIF] data_Y4P12Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31414442 _cell_length_b 7.31414442 _cell_length_c 7.31414442 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y4P12Pt _chemical_formula_sum 'Y4 P12 Pt1' _cell_volume 301.20952651 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.50718670 0.00000000 -0.00000000 1 P P1 1 5.93845980 -0.00000000 0.00000000 1 P P2 1 -0.00000000 5.93845980 0.00000000 1 P P3 1 0.00000000 2.50718670 -0.00000000 1 P P4 1 -0.00000000 0.00000000 5.93845980 1 P P5 1 0.00000000 -0.00000000 2.50718670 1 P P6 1 4.22282325 2.11141163 -0.00000000 1 P P7 1 -0.00000000 2.11141162 4.22282325 1 P P8 1 0.00000000 4.22282325 2.11141163 1 P P9 1 4.22282325 -0.00000000 2.11141163 1 P P10 1 2.11141163 4.22282325 -0.00000000 1 P P11 1 2.11141163 -0.00000000 4.22282325 1 Pt Pt12 1 0.00000000 0.00000000 0.00000000 1 Y Y13 1 -2.11141162 2.11141163 2.11141162 1 Y Y14 1 2.11141162 2.11141162 -2.11141162 1 Y Y15 1 2.11141163 2.11141162 2.11141162 1 Y Y16 1 2.11141163 -2.11141162 2.11141162 1 [/CIF]
P12PtY4
Im-3m
229
cubic
m-3m
5,085.061126
false
[CIF] data_Na2TlBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.06205416 _cell_length_b 8.06205416 _cell_length_c 8.06205416 _cell_angle_alpha 152.55202019 _cell_angle_beta 149.90266414 _cell_angle_gamma 41.18351112 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2TlBr _chemical_formula_sum 'Na2 Tl1 Br1' _cell_volume 120.86251660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.91431731 1 Na Na1 1 -0.00000000 2.09322710 6.63221934 1 Na Na2 1 -0.00000000 0.00000000 3.35559482 1 Tl Tl3 1 -0.00000000 2.09322710 0.73878082 1 [/CIF]
BrNa2Tl
Imm2
44
orthorhombic
mm2
4,537.560555
false
[CIF] data_ReBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03196767 _cell_length_b 3.03196767 _cell_length_c 8.66279966 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReBr _chemical_formula_sum 'Re2 Br2' _cell_volume 79.63562686 _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 Br Br0 1 1.51598383 0.00000000 7.00253010 1 Br Br1 1 0.00000000 1.51598383 1.66026956 1 Re Re2 1 1.51598383 0.00000000 3.53572437 1 Re Re3 1 0.00000000 1.51598383 5.12707529 1 [/CIF]
Br2Re2
P4/nmm
129
tetragonal
4/mmm
11,097.739266
false
[CIF] data_YIrCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13804953 _cell_length_b 3.13804953 _cell_length_c 11.09203227 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YIrCl2 _chemical_formula_sum 'Y1 Ir1 Cl2' _cell_volume 109.22717756 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 1.56902476 1.56902476 1.64414821 1 Cl Cl1 1 1.56902476 1.56902476 9.44788406 1 Ir Ir2 1 0.00000000 0.00000000 5.54601614 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2IrY
P4/mmm
123
tetragonal
4/mmm
5,351.76089
false
[CIF] data_BaLi4Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95499400 _cell_length_b 5.95499400 _cell_length_c 5.95499400 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLi4Ti _chemical_formula_sum 'Ba1 Li4 Ti1' _cell_volume 149.32378410 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.10540832 2.10540832 2.10540832 1 Li Li1 1 3.12469297 3.12469297 5.29694031 1 Li Li2 1 3.12469297 5.29694031 3.12469297 1 Li Li3 1 5.29694031 3.12469297 3.12469297 1 Li Li4 1 5.29694031 5.29694031 5.29694031 1 Ti Ti5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaLi4Ti
F-43m
216
cubic
-43m
2,368.176514
false
[CIF] data_MgZnTcPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69213582 _cell_length_b 4.69213582 _cell_length_c 4.69213582 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZnTcPb _chemical_formula_sum 'Mg1 Zn1 Tc1 Pb1' _cell_volume 73.04604863 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 4.97676159 4.97676159 4.97676159 1 Tc Tc2 1 3.31784106 3.31784106 3.31784106 1 Zn Zn3 1 1.65892053 1.65892053 1.65892053 1 [/CIF]
MgPbTcZn
F-43m
216
cubic
-43m
8,997.430555
false
[CIF] data_Co2TeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33738964 _cell_length_b 4.33738964 _cell_length_c 4.33738964 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2TeOs _chemical_formula_sum 'Co2 Te1 Os1' _cell_volume 57.69926977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53349882 1.53349882 1.53349882 1 Co Co1 1 4.60049645 4.60049645 4.60049645 1 Os Os2 1 3.06699763 3.06699763 3.06699763 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2OsTe
Fm-3m
225
cubic
m-3m
12,538.995376
false
[CIF] data_HfZnPtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59559721 _cell_length_b 4.59559721 _cell_length_c 4.59559721 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZnPtAu _chemical_formula_sum 'Hf1 Zn1 Pt1 Au1' _cell_volume 68.62950605 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62478898 1.62478897 1.62478898 1 Hf Hf1 1 4.87436693 4.87436693 4.87436692 1 Pt Pt2 1 3.24957795 3.24957795 3.24957795 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuHfPtZn
F-43m
216
cubic
-43m
15,386.544488
false
[CIF] data_NaLiMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15280008 _cell_length_b 4.64447023 _cell_length_c 6.66776629 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiMg2 _chemical_formula_sum 'Na1 Li1 Mg2' _cell_volume 97.63667596 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.14097723 1 Mg Mg1 1 1.57640004 2.32223511 6.66224431 1 Mg Mg2 1 0.00000000 0.00000000 1.49504809 1 Na Na3 1 1.57640004 2.32223511 3.37114609 1 [/CIF]
LiMg2Na
Pmm2
25
orthorhombic
mm2
1,335.7687
false
[CIF] data_TeP2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80004900 _cell_length_b 3.99958819 _cell_length_c 6.31485622 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeP2Cl _chemical_formula_sum 'Te1 P2 Cl1' _cell_volume 95.97717015 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 1.90002450 1.99979409 2.09147855 1 P P2 1 1.90002450 1.99979409 4.22337767 1 Te Te3 1 0.00000000 0.00000000 3.15742811 1 [/CIF]
ClP2Te
Pmmm
47
orthorhombic
mmm
3,892.823257
false
[CIF] data_FePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59104785 _cell_length_b 6.59104785 _cell_length_c 6.59104785 _cell_angle_alpha 34.21512022 _cell_angle_beta 34.21512022 _cell_angle_gamma 34.21512022 _symmetry_Int_Tables_number 1 _chemical_formula_structural FePb _chemical_formula_sum 'Fe2 Pb2' _cell_volume 80.72703460 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 -0.00000000 0.00000000 6.29209884 1 Fe Fe1 1 -0.00000000 0.00000000 12.30539648 1 Pb Pb2 1 -0.00000000 -0.00000000 1.84137353 1 Pb Pb3 1 0.00000000 -0.00000000 16.75612179 1 [/CIF]
Fe6Pb6
R-3m
166
trigonal
-3m
10,821.566801
false
[CIF] data_MgIrW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46974748 _cell_length_b 4.46974748 _cell_length_c 4.46974748 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgIrW2 _chemical_formula_sum 'Mg1 Ir1 W2' _cell_volume 63.14427270 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58029437 1.58029437 1.58029438 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 4.74088312 4.74088312 4.74088313 1 W W3 1 3.16058875 3.16058875 3.16058875 1 [/CIF]
IrMgW2
F-43m
216
cubic
-43m
15,363.075735
false
[CIF] data_In2Se3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.34149175 _cell_length_b 7.34149175 _cell_length_c 19.76637500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2Se3 _chemical_formula_sum 'In12 Se18' _cell_volume 922.62728184 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.30165016 2.07338711 16.46432958 1 In In1 1 4.89506076 0.09056855 3.28674625 1 In In2 1 2.26845121 0.06788349 6.03663775 1 In In3 1 1.40229467 6.29003486 15.91982525 1 In In4 1 -1.22431488 6.26734981 13.16993375 1 In In5 1 -1.14478083 2.16395566 19.75872541 1 In In6 1 4.81552671 4.19396270 9.87553791 1 In In7 1 2.36909572 4.28453124 6.58114208 1 In In8 1 1.07543677 1.99847812 9.33103358 1 In In9 1 6.14847732 1.93059463 12.62542941 1 In In10 1 2.59530910 4.35944024 19.21422108 1 In In11 1 -2.47773144 4.42732373 2.74224191 1 Se Se12 1 2.25773630 4.42064792 9.25584888 1 Se Se13 1 4.80475674 4.05855175 5.68633805 1 Se Se14 1 1.37269010 5.92481696 13.05168470 1 Se Se15 1 -1.11243055 6.19031727 8.98073388 1 Se Se16 1 -0.97122063 2.19233741 2.66705721 1 Se Se17 1 2.29805577 0.43310140 3.16849720 1 Se Se18 1 -1.28651567 6.10285139 15.84464055 1 Se Se19 1 2.24644141 4.22615284 2.39194222 1 Se Se20 1 1.41300958 1.93727044 19.13903638 1 Se Se21 1 5.81738705 1.77362398 9.75728887 1 Se Se22 1 2.89679480 4.15119298 16.34608054 1 Se Se23 1 0.77395107 2.20672538 6.46289304 1 Se Se24 1 4.64196650 4.16558095 12.55024471 1 Se Se25 1 1.42430446 2.13176552 12.27512972 1 Se Se26 1 -2.14664118 4.58429438 19.64047637 1 Se Se27 1 -1.13401086 2.29936661 15.56952555 1 Se Se28 1 4.78317643 0.16760109 18.86392138 1 Se Se29 1 4.95726155 0.25506697 5.96145305 1 [/CIF]
In12Se18
P6_1
169
hexagonal
6
5,037.796362
false
[CIF] data_BaGa2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61551317 _cell_length_b 6.61551317 _cell_length_c 4.39322633 _cell_angle_alpha 109.20700693 _cell_angle_beta 109.20700693 _cell_angle_gamma 122.91456201 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaGa2As _chemical_formula_sum 'Ba1 Ga2 As1' _cell_volume 117.05576689 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 3.16098390 -0.00000000 0.00000000 1 Ga Ga2 1 1.58049195 -2.90573551 0.00000000 1 Ga Ga3 1 1.58049195 2.90573551 0.00000000 1 [/CIF]
AsBaGa2
C2/m
12
monoclinic
2/m
4,989.097405
false
[CIF] data_SrGeSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63122411 _cell_length_b 4.82539286 _cell_length_c 4.86576417 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrGeSb2 _chemical_formula_sum 'Sr1 Ge1 Sb2' _cell_volume 108.73754681 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 0.00000000 2.41269643 2.43288209 1 Sb Sb2 1 2.31561205 2.41269643 0.00000000 1 Sr Sr3 1 2.31561205 0.00000000 2.43288209 1 [/CIF]
GeSb2Sr
Pmmm
47
orthorhombic
mmm
6,166.154047
false
[CIF] data_MgIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31494446 _cell_length_b 3.31308940 _cell_length_c 5.34678304 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgIn _chemical_formula_sum 'Mg2 In2' _cell_volume 94.15089397 _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 In In0 1 1.32873612 1.65654470 1.64824115 1 In In1 1 3.98620835 1.65654470 3.69854189 1 Mg Mg2 1 1.32873612 0.00000000 4.34677998 1 Mg Mg3 1 3.98620835 0.00000000 1.00000306 1 [/CIF]
In2Mg2
Pmma
51
orthorhombic
mmm
4,907.508781
false
[CIF] data_VZn2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57341648 _cell_length_b 4.57341648 _cell_length_c 4.57341648 _cell_angle_alpha 128.08585905 _cell_angle_beta 128.08585905 _cell_angle_gamma 76.48598113 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZn2Pt _chemical_formula_sum 'V1 Zn2 Pt1' _cell_volume 57.57280683 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 -0.00000000 2.00177338 1.79596388 1 V V1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 2.00177338 0.00000000 1.79596388 1 Zn Zn3 1 0.00000000 -0.00000000 3.59192775 1 [/CIF]
PtVZn2
I-4m2
119
tetragonal
-42m
10,867.405585
false
[CIF] data_CrGaRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68165887 _cell_length_b 2.68165887 _cell_length_c 8.61028744 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 116.37253271 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGaRu2 _chemical_formula_sum 'Cr1 Ga1 Ru2' _cell_volume 55.47486774 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.31676881 1 Ga Ga1 1 1.41366194 0.00000000 2.19223696 1 Ru Ru2 1 0.00000000 0.00000000 0.05408767 1 Ru Ru3 1 1.41366194 0.00000000 6.35233772 1 [/CIF]
CrGaRu2
Cmm2
35
orthorhombic
mm2
9,694.131947
false
[CIF] data_Sr2CuCO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.27894328 _cell_length_b 9.27894328 _cell_length_c 9.27894328 _cell_angle_alpha 130.52276272 _cell_angle_beta 130.52276272 _cell_angle_gamma 72.57241420 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2CuCO5 _chemical_formula_sum 'Sr8 Cu4 C4 O20' _cell_volume 451.10408267 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.88473998 2.05295201 -0.02660000 1 C C1 1 1.99830602 1.83009399 7.45288500 1 C C2 1 5.71313999 1.88473998 0.02660000 1 C C3 1 -1.83009399 1.99830602 7.50608500 1 Cu Cu4 1 1.94619597 1.94114603 3.74136521 1 Cu Cu5 1 5.81989603 -1.94114603 3.74136521 1 Cu Cu6 1 1.94189997 -1.93685003 3.73811979 1 Cu Cu7 1 5.82419203 1.93685003 3.73811979 1 O O8 1 1.94344600 3.88610600 3.86251522 1 O O9 1 -1.94344600 3.87998600 3.86251522 1 O O10 1 3.88703602 1.94184599 3.90817523 1 O O11 1 3.87905598 -1.94184599 3.90817523 1 O O12 1 1.47016603 1.84767603 6.27447508 1 O O13 1 2.41287997 2.03536997 -1.20500992 1 O O14 1 1.81987598 -1.26306400 6.44444511 1 O O15 1 2.06317002 5.14611000 -1.03503989 1 O O16 1 5.70061200 0.58369004 -0.08819999 1 O O17 1 -1.81756600 3.29935596 7.39128501 1 O O18 1 0.58369004 2.06548000 0.08819999 1 O O19 1 3.29935596 1.81756600 7.56768499 1 O O20 1 1.26306400 1.81987598 8.51452489 1 O O21 1 2.61998200 2.06317002 1.03503989 1 O O22 1 2.03536997 5.35321203 1.20500992 1 O O23 1 1.84767603 -1.47016603 8.68449492 1 O O24 1 1.94120001 0.00399002 3.57130977 1 O O25 1 5.82489199 -0.00399002 3.57130977 1 O O26 1 0.00306000 1.93960000 3.61696978 1 O O27 1 -0.00306000 5.82649200 3.61696978 1 Sr Sr28 1 0.00000000 -0.00000000 5.27879512 1 Sr Sr29 1 -0.00000000 3.88304600 5.44217512 1 Sr Sr30 1 3.88304600 -0.00000000 5.46721516 1 Sr Sr31 1 0.00000000 0.00000000 13.04164011 1 Sr Sr32 1 0.00000000 0.00000000 1.91732989 1 Sr Sr33 1 3.88304600 -0.00000000 2.01226984 1 Sr Sr34 1 0.00000000 3.88304600 2.03730988 1 Sr Sr35 1 0.00000000 -0.00000000 9.68017488 1 [/CIF]
C4Cu4O20Sr8
I-4
82
tetragonal
-4
4,870.679588
false
[CIF] data_InNi2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80389648 _cell_length_b 3.53675360 _cell_length_c 5.87861911 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InNi2Mo _chemical_formula_sum 'In1 Ni2 Mo1' _cell_volume 58.29644903 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.93930955 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 1.40194824 1.76837680 1.28249877 1 Ni Ni3 1 1.40194824 1.76837680 4.59612034 1 [/CIF]
InMoNi2
Pmmm
47
orthorhombic
mmm
9,347.580927
false
[CIF] data_SrZnBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59169790 _cell_length_b 5.59169790 _cell_length_c 5.59169790 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZnBi2 _chemical_formula_sum 'Sr1 Zn1 Bi2' _cell_volume 123.62778861 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.93089125 5.93089125 5.93089125 1 Bi Bi1 1 3.95392750 3.95392750 3.95392750 1 Sr Sr2 1 1.97696375 1.97696375 1.97696375 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2SrZn
F-43m
216
cubic
-43m
7,669.009731
false
[CIF] data_B2AsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06262035 _cell_length_b 4.06262035 _cell_length_c 4.06262035 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B2AsRh _chemical_formula_sum 'B2 As1 Rh1' _cell_volume 47.41368625 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.87270640 2.87270640 2.87270640 1 B B1 1 0.00000000 0.00000000 0.00000000 1 B B2 1 4.30905960 4.30905960 4.30905960 1 Rh Rh3 1 1.43635320 1.43635320 1.43635320 1 [/CIF]
AsB2Rh
F-43m
216
cubic
-43m
6,985.177668
false
[CIF] data_Tm2HfAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14956186 _cell_length_b 5.14956186 _cell_length_c 5.14956186 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2HfAl _chemical_formula_sum 'Tm2 Hf1 Al1' _cell_volume 96.55968524 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.64129011 3.64129011 3.64129011 1 Tm Tm2 1 5.46193517 5.46193517 5.46193517 1 Tm Tm3 1 1.82064506 1.82064506 1.82064506 1 [/CIF]
AlHfTm2
Fm-3m
225
cubic
m-3m
9,343.829419
false
[CIF] data_Fe4BPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57314142 _cell_length_b 4.57314142 _cell_length_c 4.57314142 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe4BPt _chemical_formula_sum 'Fe4 B1 Pt1' _cell_volume 67.62836650 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 4.04407147 4.04407147 2.42332715 1 Fe Fe2 1 4.04407147 2.42332715 4.04407147 1 Fe Fe3 1 2.42332715 4.04407147 4.04407147 1 Fe Fe4 1 2.42332715 2.42332715 2.42332715 1 Pt Pt5 1 4.85054897 4.85054897 4.85054897 1 [/CIF]
BFe4Pt
F-43m
216
cubic
-43m
10,540.368557
false
[CIF] data_GeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50426780 _cell_length_b 5.50426780 _cell_length_c 5.50426780 _cell_angle_alpha 149.02994712 _cell_angle_beta 149.02994712 _cell_angle_gamma 44.36722739 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeIr2 _chemical_formula_sum 'Ge1 Ir2' _cell_volume 44.02894961 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.00000000 0.00000000 3.56540496 1 Ir Ir2 1 0.00000000 0.00000000 6.62826350 1 [/CIF]
GeIr2
I4/mmm
139
tetragonal
4/mmm
17,238.416932
false
[CIF] data_Al2VPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79168235 _cell_length_b 2.79168235 _cell_length_c 7.47769246 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2VPt _chemical_formula_sum 'Al2 V1 Pt1' _cell_volume 58.27732398 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.39584117 1.39584117 1.90312620 1 Al Al1 1 1.39584117 1.39584117 5.57456626 1 Pt Pt2 1 0.00000000 0.00000000 3.73884623 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2PtV
P4/mmm
123
tetragonal
4/mmm
8,547.79729
false
[CIF] data_MgMn2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83591312 _cell_length_b 4.83591312 _cell_length_c 2.46252976 _cell_angle_alpha 100.58147915 _cell_angle_beta 100.58147915 _cell_angle_gamma 115.33204978 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMn2Cr _chemical_formula_sum 'Mg1 Mn2 Cr1' _cell_volume 48.88727541 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 2.58650494 -0.00000000 0.00000000 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 0.87051686 2.04303988 1.15642025 1 Mn Mn3 1 0.87051686 -2.04303988 1.15642025 1 [/CIF]
CrMgMn2
C2/m
12
monoclinic
2/m
6,323.823423
false
[CIF] data_ZrCuAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36185182 _cell_length_b 4.36185182 _cell_length_c 4.36185182 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCuAg _chemical_formula_sum 'Zr1 Cu1 Ag1' _cell_volume 58.68102959 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.62644250 4.62644250 4.62644250 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.54214750 1.54214750 1.54214750 1 [/CIF]
AgCuZr
F-43m
216
cubic
-43m
7,432.061001
false
[CIF] data_Nd2SmHf _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55982930 _cell_length_b 5.55982930 _cell_length_c 5.55982930 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2SmHf _chemical_formula_sum 'Nd2 Sm1 Hf1' _cell_volume 121.52604824 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.93139300 3.93139300 3.93139300 1 Nd Nd1 1 1.96569650 1.96569650 1.96569650 1 Nd Nd2 1 5.89708950 5.89708950 5.89708950 1 Sm Sm3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfNd2Sm
Fm-3m
225
cubic
m-3m
8,435.288064
false
[CIF] data_CsLi3P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00180272 _cell_length_b 5.00180272 _cell_length_c 5.00180272 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsLi3P _chemical_formula_sum 'Cs1 Li3 P1' _cell_volume 125.13525275 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 2.50090136 2.50090136 2.50090136 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 0.00000000 2.50090136 0.00000000 1 Li Li3 1 0.00000000 0.00000000 2.50090136 1 Li Li4 1 2.50090136 0.00000000 0.00000000 1 [/CIF]
CsLi3P
Pm-3m
221
cubic
m-3m
2,450.98991
false
[CIF] data_Ca2TaRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41236327 _cell_length_b 3.42570924 _cell_length_c 9.03435315 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.04455108 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2TaRh _chemical_formula_sum 'Ca2 Ta1 Rh1' _cell_volume 105.59190988 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.10471110 0.00000000 8.51783594 1 Ca Ca1 1 1.69729697 1.71285462 2.87040781 1 Rh Rh2 1 3.26593934 0.00000000 5.10472490 1 Ta Ta3 1 1.55446418 1.71285462 6.08916096 1 [/CIF]
Ca2RhTa
Pm
6
monoclinic
m
5,724.413895
false
[CIF] data_MnTlPbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80002572 _cell_length_b 4.80002572 _cell_length_c 4.80002572 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTlPbW _chemical_formula_sum 'Mn1 Tl1 Pb1 W1' _cell_volume 78.20161047 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 1.69706537 1.69706537 1.69706537 1 Tl Tl2 1 3.39413074 3.39413074 3.39413074 1 W W3 1 5.09119611 5.09119611 5.09119611 1 [/CIF]
MnPbTlW
F-43m
216
cubic
-43m
13,809.82328
false
[CIF] data_Ta2ZnIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52169703 _cell_length_b 3.52169703 _cell_length_c 6.09247649 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2ZnIn _chemical_formula_sum 'Ta2 Zn1 In1' _cell_volume 75.56102562 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.76084852 1.76084852 4.50415629 1 Ta Ta1 1 0.00000000 0.00000000 0.22091228 1 Ta Ta2 1 1.76084852 1.76084852 1.43440036 1 Zn Zn3 1 0.00000000 0.00000000 2.97924580 1 [/CIF]
InTa2Zn
P4mm
99
tetragonal
4mm
11,913.12398
false
[CIF] data_CoTe2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23908878 _cell_length_b 3.23908878 _cell_length_c 7.69148117 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoTe2Au _chemical_formula_sum 'Co1 Te2 Au1' _cell_volume 80.69668318 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.84574059 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.61954439 1.61954439 1.57413446 1 Te Te3 1 1.61954439 1.61954439 6.11734671 1 [/CIF]
AuCoTe2
P4/mmm
123
tetragonal
4/mmm
10,517.174827
false
[CIF] data_AlInAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53084113 _cell_length_b 3.53084113 _cell_length_c 6.95536293 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlInAs2 _chemical_formula_sum 'Al1 In1 As2' _cell_volume 86.71139018 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 As As1 1 1.76542056 1.76542056 1.28456504 1 As As2 1 1.76542056 1.76542056 5.67079789 1 In In3 1 0.00000000 0.00000000 3.47768146 1 [/CIF]
AlAs2In
P4/mmm
123
tetragonal
4/mmm
5,585.013314
false
[CIF] data_ScNbW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24660827 _cell_length_b 3.24660827 _cell_length_c 6.82979074 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNbW2 _chemical_formula_sum 'Sc1 Nb1 W2' _cell_volume 71.98917202 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.41489537 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.62330413 1.62330413 1.89677939 1 W W3 1 1.62330413 1.62330413 4.93301135 1 [/CIF]
NbScW2
P4/mmm
123
tetragonal
4/mmm
11,661.097108
false
[CIF] data_LaB2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19143693 _cell_length_b 3.19143693 _cell_length_c 6.08707076 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaB2As _chemical_formula_sum 'La1 B2 As1' _cell_volume 61.99845724 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.08470077 1 B B1 1 1.59571847 1.59571847 0.21229359 1 B B2 1 0.00000000 0.00000000 0.98398534 1 La La3 1 1.59571847 1.59571847 2.84962651 1 [/CIF]
AsB2La
P4mm
99
tetragonal
4mm
6,306.215564
false
[CIF] data_HfTaHgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83212965 _cell_length_b 4.83212965 _cell_length_c 4.83212965 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaHgAu _chemical_formula_sum 'Hf1 Ta1 Hg1 Au1' _cell_volume 79.78123149 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70841582 1.70841582 1.70841582 1 Hf Hf1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 3.41683164 3.41683164 3.41683164 1 Ta Ta3 1 5.12524746 5.12524746 5.12524746 1 [/CIF]
AuHfHgTa
F-43m
216
cubic
-43m
15,755.821667
false
[CIF] data_Pr2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.54764747 _cell_length_b 9.54764747 _cell_length_c 9.54764747 _cell_angle_alpha 152.01669135 _cell_angle_beta 152.01669135 _cell_angle_gamma 39.98892802 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr2Sb _chemical_formula_sum 'Pr4 Sb2' _cell_volume 191.24626543 _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 2.30843555 0.00000000 -0.00000000 1 Pr Pr1 1 0.00000000 2.30843555 -0.00000000 1 Pr Pr2 1 0.00000000 0.00000000 12.19920439 1 Pr Pr3 1 -0.00000000 0.00000000 5.74513431 1 Sb Sb4 1 0.00000000 -0.00000000 15.46845260 1 Sb Sb5 1 0.00000000 -0.00000000 2.47588610 1 [/CIF]
Pr4Sb2
I4/mmm
139
tetragonal
4/mmm
7,008.268114
false
[CIF] data_NdEr2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46159803 _cell_length_b 5.46159803 _cell_length_c 5.46159803 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdEr2Bi _chemical_formula_sum 'Nd1 Er2 Bi1' _cell_volume 115.19780411 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.86193300 3.86193300 3.86193300 1 Er Er1 1 1.93096650 1.93096650 1.93096650 1 Er Er2 1 5.79289950 5.79289950 5.79289950 1 Nd Nd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiEr2Nd
Fm-3m
225
cubic
m-3m
9,913.555303
false
[CIF] data_CdMoOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80643986 _cell_length_b 3.92352870 _cell_length_c 5.88563310 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdMoOs2 _chemical_formula_sum 'Cd1 Mo1 Os2' _cell_volume 64.80757323 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.94281655 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.40321993 1.96176435 1.29454347 1 Os Os3 1 1.40321993 1.96176435 4.59108963 1 [/CIF]
CdMoOs2
Pmmm
47
orthorhombic
mmm
15,087.386095
false
[CIF] data_TeMoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56376015 _cell_length_b 5.56376015 _cell_length_c 5.56376015 _cell_angle_alpha 146.05839639 _cell_angle_beta 146.05839639 _cell_angle_gamma 48.76003287 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeMoW _chemical_formula_sum 'Te1 Mo1 W1' _cell_volume 53.45926364 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.05316559 1 Te Te1 1 0.00000000 -0.00000000 3.37938919 1 W W2 1 -0.00000000 0.00000000 6.70269870 1 [/CIF]
MoTeW
I4mm
107
tetragonal
4mm
12,654.562927
false
[CIF] data_MnTl2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40702827 _cell_length_b 4.18279869 _cell_length_c 7.03703996 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTl2In _chemical_formula_sum 'Mn1 Tl2 In1' _cell_volume 100.28424695 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.51851998 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.70351414 2.09139935 1.60568623 1 Tl Tl3 1 1.70351414 2.09139935 5.43135373 1 [/CIF]
InMnTl2
Pmmm
47
orthorhombic
mmm
9,579.365475
false
[CIF] data_Ca2MgFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86482933 _cell_length_b 4.86482933 _cell_length_c 4.17453167 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2MgFe _chemical_formula_sum 'Ca2 Mg1 Fe1' _cell_volume 98.79682265 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.43241467 2.08726584 1 Ca Ca1 1 2.43241467 0.00000000 2.08726584 1 Fe Fe2 1 2.43241467 2.43241467 0.00000000 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca2FeMg
P4/mmm
123
tetragonal
4/mmm
2,694.477088
false
[CIF] data_ZrCo2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12622578 _cell_length_b 3.12622578 _cell_length_c 5.56096561 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCo2Cu _chemical_formula_sum 'Zr1 Co2 Cu1' _cell_volume 54.34891639 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56311289 1.56311289 4.31938745 1 Co Co1 1 1.56311289 1.56311289 1.24157816 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 2.78048281 1 [/CIF]
Co2CuZr
P4/mmm
123
tetragonal
4/mmm
8,329.943017
false
[CIF] data_ScIn2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41252462 _cell_length_b 5.41252462 _cell_length_c 3.37161994 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.13289410 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScIn2Ge _chemical_formula_sum 'Sc1 In2 Ge1' _cell_volume 90.14022910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 2.94260586 0.00000000 0.00000000 1 In In1 1 1.47130293 -2.27137038 1.68580997 1 In In2 1 1.47130293 2.27137038 1.68580997 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeIn2Sc
Cmmm
65
orthorhombic
mmm
6,396.612931
false
[CIF] data_BaGdTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05380247 _cell_length_b 5.05380247 _cell_length_c 5.05380247 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaGdTc2 _chemical_formula_sum 'Ba1 Gd1 Tc2' _cell_volume 91.27246783 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Gd Gd1 1 3.57357800 3.57357800 3.57357800 1 Tc Tc2 1 5.36036700 5.36036700 5.36036700 1 Tc Tc3 1 1.78678900 1.78678900 1.78678900 1 [/CIF]
BaGdTc2
Fm-3m
225
cubic
m-3m
8,958.143175
false
[CIF] data_Ba2LaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89287968 _cell_length_b 3.89287968 _cell_length_c 9.95279755 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2LaNi _chemical_formula_sum 'Ba2 La1 Ni1' _cell_volume 150.82979193 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94643984 1.94643984 9.28051593 1 Ba Ba1 1 0.00000000 0.00000000 2.80988376 1 La La2 1 1.94643984 1.94643984 5.83937530 1 Ni Ni3 1 0.00000000 0.00000000 6.95221889 1 [/CIF]
Ba2LaNi
P4mm
99
tetragonal
4mm
5,199.620417
false
[CIF] data_MgBePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26940407 _cell_length_b 5.26940407 _cell_length_c 5.26940407 _cell_angle_alpha 147.57754967 _cell_angle_beta 133.50766243 _cell_angle_gamma 57.82077056 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBePd2 _chemical_formula_sum 'Mg1 Be1 Pd2' _cell_volume 56.45084985 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 4.40477405 1 Mg Mg1 1 0.00000000 2.07974114 2.13921147 1 Pd Pd2 1 0.00000000 -0.00000000 0.06468336 1 Pd Pd3 1 1.47110821 0.00000000 2.61676047 1 [/CIF]
BeMgPd2
Imm2
44
orthorhombic
mm2
7,240.876236
false
[CIF] data_Ca2TlTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.30740676 _cell_length_b 10.30740676 _cell_length_c 10.30740676 _cell_angle_alpha 19.09680270 _cell_angle_beta 19.09680270 _cell_angle_gamma 19.09680270 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2TlTc _chemical_formula_sum 'Ca2 Tl1 Tc1' _cell_volume 102.45049806 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 22.46585024 1 Ca Ca1 1 -0.00000000 0.00000000 7.88382373 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 -0.00000000 -0.00000000 15.17483698 1 [/CIF]
Ca2TcTl
R-3m
166
trigonal
-3m
6,214.964734
false
[CIF] data_Li2YSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29051417 _cell_length_b 5.20020514 _cell_length_c 4.40901237 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.02133888 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2YSb _chemical_formula_sum 'Li2 Y1 Sb1' _cell_volume 98.31070580 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.16531370 2.60010257 3.17513464 1 Li Li1 1 2.96968710 2.60010257 1.23113427 1 Sb Sb2 1 2.06750040 0.00000000 2.20313445 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Li2SbY
P2/m
10
monoclinic
2/m
3,792.775916
false
[CIF] data_Be2VTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46680133 _cell_length_b 4.46680133 _cell_length_c 4.46680133 _cell_angle_alpha 137.70682525 _cell_angle_beta 129.55854088 _cell_angle_gamma 67.87815183 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2VTc _chemical_formula_sum 'Be2 V1 Tc1' _cell_volume 45.46385184 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.90333366 1.84330651 1 Be Be1 1 1.61142215 0.00000000 1.86249351 1 Tc Tc2 1 -0.00000000 -0.00000000 3.70580002 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2TcV
Immm
71
orthorhombic
mmm
6,131.4233
false
[CIF] data_V2FeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78395985 _cell_length_b 4.78395985 _cell_length_c 4.78395985 _cell_angle_alpha 136.34258148 _cell_angle_beta 136.34258148 _cell_angle_gamma 63.45114128 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2FeRu _chemical_formula_sum 'V2 Fe1 Ru1' _cell_volume 51.50292309 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.06912388 1 Ru Ru1 1 -0.00000000 1.77883427 2.03456194 1 V V2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 1.77883427 -0.00000000 2.03456194 1 [/CIF]
FeRuV2
I-4m2
119
tetragonal
-42m
8,344.073765
false
[CIF] data_Sr2TaOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25228096 _cell_length_b 5.25228096 _cell_length_c 5.25228096 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2TaOs _chemical_formula_sum 'Sr2 Ta1 Os1' _cell_volume 102.45398406 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 3.71392348 3.71392348 3.71392348 1 Sr Sr1 1 1.85696174 1.85696174 1.85696174 1 Sr Sr2 1 5.57088522 5.57088522 5.57088522 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsSr2Ta
Fm-3m
225
cubic
m-3m
8,856.153763
false
[CIF] data_ZnRhAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90292271 _cell_length_b 4.90292271 _cell_length_c 4.75554652 _cell_angle_alpha 101.74611174 _cell_angle_beta 101.74611174 _cell_angle_gamma 35.52568321 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnRhAu2 _chemical_formula_sum 'Zn1 Rh1 Au2' _cell_volume 64.89044417 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 6.74035372 0.00000000 1.15727458 1 Au Au1 1 1.58144745 0.00000000 3.48834690 1 Rh Rh2 1 4.16090059 0.00000000 2.32281074 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2RhZn
C2/m
12
monoclinic
2/m
14,387.110833
false
[CIF] data_BeVGaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23570151 _cell_length_b 4.23570151 _cell_length_c 4.23570151 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeVGaPt _chemical_formula_sum 'Be1 V1 Ga1 Pt1' _cell_volume 53.73546917 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 4.49263989 4.49263989 4.49263989 1 Pt Pt2 1 1.49754663 1.49754663 1.49754663 1 V V3 1 2.99509326 2.99509326 2.99509326 1 [/CIF]
BeGaPtV
F-43m
216
cubic
-43m
10,035.788429
false
[CIF] data_HfFeHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60946566 _cell_length_b 5.60946566 _cell_length_c 5.60946566 _cell_angle_alpha 146.05851240 _cell_angle_beta 128.54278285 _cell_angle_gamma 63.08250177 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfFeHg2 _chemical_formula_sum 'Hf1 Fe1 Hg2' _cell_volume 76.24415825 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.93650000 1 Hf Hf1 1 -0.00000000 2.43511925 2.00225097 1 Hg Hg2 1 0.00000000 0.00000000 9.52537488 1 Hg Hg3 1 1.63730969 0.00000000 2.65885139 1 [/CIF]
FeHfHg2
Imm2
44
orthorhombic
mm2
13,841.027419
false
[CIF] data_SrLiNiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71113004 _cell_length_b 4.71113004 _cell_length_c 4.71113004 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLiNiPd _chemical_formula_sum 'Sr1 Li1 Ni1 Pd1' _cell_volume 73.93673682 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 3.33127200 3.33127200 3.33127200 1 Pd Pd2 1 4.99690800 4.99690800 4.99690800 1 Sr Sr3 1 1.66563600 1.66563600 1.66563600 1 [/CIF]
LiNiPdSr
F-43m
216
cubic
-43m
5,832.005906
false
[CIF] data_NaNbBiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84859145 _cell_length_b 4.84859145 _cell_length_c 4.84859145 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNbBiPt _chemical_formula_sum 'Na1 Nb1 Bi1 Pt1' _cell_volume 80.59939368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71423594 1.71423595 1.71423595 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 3.42847189 3.42847189 3.42847189 1 Pt Pt3 1 5.14270783 5.14270783 5.14270783 1 [/CIF]
BiNaNbPt
F-43m
216
cubic
-43m
10,712.423081
false
[CIF] data_SrSnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13954356 _cell_length_b 5.13954356 _cell_length_c 5.13954356 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSnHg _chemical_formula_sum 'Sr1 Sn1 Hg1' _cell_volume 95.99721962 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.45130915 5.45130915 5.45130915 1 Sn Sn1 1 3.63420610 3.63420610 3.63420610 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgSnSr
F-43m
216
cubic
-43m
7,038.813829
false
[CIF] data_Hf2ScBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35933725 _cell_length_b 3.53844082 _cell_length_c 8.39618858 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ScBr _chemical_formula_sum 'Hf2 Sc1 Br1' _cell_volume 99.80394920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.67966862 1.76922041 5.89900887 1 Hf Hf1 1 0.00000000 0.00000000 0.21655752 1 Hf Hf2 1 1.67966862 1.76922041 2.20905938 1 Sc Sc3 1 0.00000000 0.00000000 4.26965710 1 [/CIF]
BrHf2Sc
Pmm2
25
orthorhombic
mm2
8,016.85709
false
[CIF] data_LiMoBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76255740 _cell_length_b 4.76255740 _cell_length_c 4.76255740 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMoBr _chemical_formula_sum 'Li1 Mo1 Br1' _cell_volume 76.38457557 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 3.36763663 3.36763663 3.36763663 1 Li Li1 1 -0.00000000 -0.00000000 -0.00000000 1 Mo Mo2 1 1.68381831 1.68381831 1.68381832 1 [/CIF]
BrLiMo
F-43m
216
cubic
-43m
3,974.033263
false
[CIF] data_ScTc2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09542577 _cell_length_b 3.09542577 _cell_length_c 6.59135420 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTc2Ir _chemical_formula_sum 'Sc1 Tc2 Ir1' _cell_volume 63.15611948 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54771288 1.54771288 3.33677749 1 Sc Sc1 1 0.00000000 0.00000000 4.92131432 1 Tc Tc2 1 1.54771288 1.54771288 0.11022623 1 Tc Tc3 1 0.00000000 0.00000000 1.51871326 1 [/CIF]
IrScTc2
P4mm
99
tetragonal
4mm
11,436.898117
false
[CIF] data_Al2SnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31962510 _cell_length_b 3.91608781 _cell_length_c 7.47045036 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.37477737 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2SnPb _chemical_formula_sum 'Al2 Sn1 Pb1' _cell_volume 97.11335414 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.04711443 1.95804391 7.23675118 1 Al Al1 1 1.60863089 0.00000000 5.94469690 1 Pb Pb2 1 3.25102074 1.95804391 4.07550194 1 Sn Sn3 1 1.70455146 0.00000000 1.41877633 1 [/CIF]
Al2PbSn
Pm
6
monoclinic
m
6,495.441236
false
[CIF] data_MgSc2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.94835479 _cell_length_b 9.94835479 _cell_length_c 9.94835479 _cell_angle_alpha 18.84388442 _cell_angle_beta 18.84388442 _cell_angle_gamma 18.84388442 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSc2Ag _chemical_formula_sum 'Mg1 Sc2 Ag1' _cell_volume 89.75542121 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 -0.00000000 -0.00000000 14.67488426 1 Mg Mg1 1 0.00000000 -0.00000000 7.13236725 1 Sc Sc2 1 0.00000000 -0.00000000 0.01560393 1 Sc Sc3 1 -0.00000000 -0.00000000 22.13764988 1 [/CIF]
AgMgSc2
R3m
160
trigonal
3m
4,108.730741
false
[CIF] data_TaW2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66316960 _cell_length_b 4.66316960 _cell_length_c 4.66316960 _cell_angle_alpha 122.86084995 _cell_angle_beta 122.86084995 _cell_angle_gamma 85.11240373 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaW2Se _chemical_formula_sum 'Ta1 W2 Se1' _cell_volume 68.32967390 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Se Se0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 2.23004693 0.00000000 1.71747869 1 W W2 1 0.00000000 -0.00000000 3.43495737 1 W W3 1 -0.00000000 2.23004693 1.71747869 1 [/CIF]
SeTaW2
I-4m2
119
tetragonal
-42m
15,251.561041
false