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_Mg2TiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.52819816 _cell_length_b 9.52819816 _cell_length_c 9.52819816 _cell_angle_alpha 18.26640217 _cell_angle_beta 18.26640217 _cell_angle_gamma 18.26640217 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TiPd _chemical_formula_sum 'Mg2 Ti1 Pd1' _cell_volume 74.22018839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.08740561 1 Mg Mg1 1 -0.00000000 -0.00000000 6.77241338 1 Pd Pd2 1 0.00000000 0.00000000 13.98132091 1 Ti Ti3 1 -0.00000000 -0.00000000 21.30940264 1 [/CIF]
Mg2PdTi
R3m
160
trigonal
3m
4,539.444081
false
[CIF] data_Li4Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.53254397 _cell_length_b 6.53254397 _cell_length_c 6.53254397 _cell_angle_alpha 149.86644379 _cell_angle_beta 149.86644379 _cell_angle_gamma 43.13748409 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Fe _chemical_formula_sum 'Li4 Fe1' _cell_volume 70.07144724 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 1.69809988 0.00000000 3.03755841 1 Li Li2 1 0.00000000 1.69809988 3.03755841 1 Li Li3 1 0.00000000 0.00000000 7.15514258 1 Li Li4 1 -0.00000000 0.00000000 4.99509106 1 [/CIF]
FeLi4
I4/mmm
139
tetragonal
4/mmm
1,981.34927
false
[CIF] data_K4TlV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41148483 _cell_length_b 7.41148483 _cell_length_c 7.41148483 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K4TlV _chemical_formula_sum 'K4 Tl1 V1' _cell_volume 287.87282768 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.55244218 6.55244218 3.92898018 1 K K1 1 6.55244218 3.92898018 6.55244218 1 K K2 1 3.92898018 6.55244218 6.55244218 1 K K3 1 3.92898018 3.92898018 3.92898018 1 Tl Tl4 1 7.86106677 7.86106677 7.86106677 1 V V5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K4TlV
F-43m
216
cubic
-43m
2,374.916135
false
[CIF] data_BeAlCoBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52086456 _cell_length_b 4.52086456 _cell_length_c 4.52086456 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAlCoBi _chemical_formula_sum 'Be1 Al1 Co1 Bi1' _cell_volume 65.33554108 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.19673399 3.19673399 3.19673399 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Bi Bi2 1 4.79510098 4.79510098 4.79510098 1 Co Co3 1 1.59836699 1.59836699 1.59836700 1 [/CIF]
AlBeBiCo
F-43m
216
cubic
-43m
7,723.973229
false
[CIF] data_AlRePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03010820 _cell_length_b 6.03010820 _cell_length_c 6.03010820 _cell_angle_alpha 153.48119879 _cell_angle_beta 153.48119879 _cell_angle_gamma 37.85411361 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlRePd _chemical_formula_sum 'Al1 Re1 Pd1' _cell_volume 43.64465492 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.38442305 1 Pd Pd1 1 -0.00000000 0.00000000 3.85736331 1 Re Re2 1 0.00000000 0.00000000 7.57450976 1 [/CIF]
AlPdRe
I4mm
107
tetragonal
4mm
12,160.407411
false
[CIF] data_TiIrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27626914 _cell_length_b 4.27626914 _cell_length_c 4.27626914 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiIrPt _chemical_formula_sum 'Ti1 Ir1 Pt1' _cell_volume 55.29426589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.02377891 3.02377891 3.02377891 1 Pt Pt1 1 4.53566836 4.53566836 4.53566837 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrPtTi
F-43m
216
cubic
-43m
13,068.506344
false
[CIF] data_KCrCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38962070 _cell_length_b 4.38962070 _cell_length_c 6.32507826 _cell_angle_alpha 98.17494421 _cell_angle_beta 98.17494421 _cell_angle_gamma 38.85383662 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCrCo2 _chemical_formula_sum 'K1 Cr1 Co2' _cell_volume 75.58336170 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.10009924 0.00000000 5.50951708 1 Co Co1 1 1.39911590 0.00000000 4.42074001 1 Cr Cr2 1 3.90483452 -0.00000000 4.25188858 1 K K3 1 5.91022458 -0.00000000 1.44976753 1 [/CIF]
Co2CrK
Cm
8
monoclinic
m
4,590.792833
false
[CIF] data_Re2TeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23532602 _cell_length_b 3.23532602 _cell_length_c 6.52426873 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2TeAu _chemical_formula_sum 'Re2 Te1 Au1' _cell_volume 68.29170288 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.26213436 1 Re Re1 1 1.61766301 1.61766301 4.92795104 1 Re Re2 1 1.61766301 1.61766301 1.59631769 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuRe2Te
P4/mmm
123
tetragonal
4/mmm
16,947.351065
false
[CIF] data_NaFeOsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56702007 _cell_length_b 4.56702007 _cell_length_c 4.56702007 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaFeOsPb _chemical_formula_sum 'Na1 Fe1 Os1 Pb1' _cell_volume 67.35715914 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61468543 1.61468543 1.61468543 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 3.22937086 3.22937086 3.22937086 1 Pb Pb3 1 4.84405629 4.84405629 4.84405629 1 [/CIF]
FeNaOsPb
F-43m
216
cubic
-43m
11,741.235312
false
[CIF] data_LiIr2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68576475 _cell_length_b 4.55914917 _cell_length_c 4.63440819 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.97981721 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiIr2Rh _chemical_formula_sum 'Li1 Ir2 Rh1' _cell_volume 56.71353643 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.54930079 2.27957459 3.49530659 1 Ir Ir1 1 1.97635697 2.27957459 1.13633513 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 1.26282888 0.00000000 2.31582086 1 [/CIF]
Ir2LiRh
P2/m
10
monoclinic
2/m
14,472.242991
false
[CIF] data_ZrBeTlAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73042030 _cell_length_b 4.73042030 _cell_length_c 4.73042030 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBeTlAu _chemical_formula_sum 'Zr1 Be1 Tl1 Au1' _cell_volume 74.84868773 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67245614 1.67245614 1.67245614 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 3.34491227 3.34491227 3.34491227 1 Zr Zr3 1 5.01736841 5.01736841 5.01736841 1 [/CIF]
AuBeTlZr
F-43m
216
cubic
-43m
11,127.826796
false
[CIF] data_CrCoW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.64308950 _cell_length_b 2.64308950 _cell_length_c 7.91458630 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCoW2 _chemical_formula_sum 'Cr1 Co1 W2' _cell_volume 55.29068339 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 3.95729315 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.32154475 1.32154475 2.10327725 1 W W3 1 1.32154475 1.32154475 5.81130905 1 [/CIF]
CoCrW2
P4/mmm
123
tetragonal
4/mmm
14,374.020781
false
[CIF] data_LiHgGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10468027 _cell_length_b 3.10468027 _cell_length_c 8.25806609 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 99.31833423 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHgGe2 _chemical_formula_sum 'Li1 Hg1 Ge2' _cell_volume 78.54942271 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.00976244 0.00000000 0.04105027 1 Ge Ge1 1 0.00000000 0.00000000 6.46956750 1 Hg Hg2 1 2.00976244 0.00000000 3.94105956 1 Li Li3 1 0.00000000 0.00000000 1.93542181 1 [/CIF]
Ge2HgLi
Cmm2
35
orthorhombic
mm2
7,458.443721
false
[CIF] data_VSbMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41293372 _cell_length_b 4.41293372 _cell_length_c 3.37498373 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.09698161 _symmetry_Int_Tables_number 1 _chemical_formula_structural VSbMo2 _chemical_formula_sum 'V1 Sb1 Mo2' _cell_volume 65.62838983 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51747646 1.60179936 1.68749186 1 Mo Mo1 1 1.51747646 -1.60179936 1.68749186 1 Sb Sb2 1 3.03495292 -0.00000000 0.00000000 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2SbV
Cmmm
65
orthorhombic
mmm
9,225.706236
false
[CIF] data_ZrTi2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59132267 _cell_length_b 3.59132267 _cell_length_c 4.53846343 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTi2C _chemical_formula_sum 'Zr1 Ti2 C1' _cell_volume 58.53527922 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Ti Ti1 1 0.00000000 1.79566133 2.26923172 1 Ti Ti2 1 1.79566133 0.00000000 2.26923172 1 Zr Zr3 1 1.79566133 1.79566133 0.00000000 1 [/CIF]
CTi2Zr
P4/mmm
123
tetragonal
4/mmm
5,644.378976
false
[CIF] data_Eu2NpAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50009623 _cell_length_b 5.50009623 _cell_length_c 5.50009623 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Eu2NpAl _chemical_formula_sum 'Eu2 Np1 Al1' _cell_volume 117.65106577 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Eu Eu1 1 5.83373301 5.83373301 5.83373301 1 Eu Eu2 1 1.94457767 1.94457767 1.94457767 1 Np Np3 1 3.88915534 3.88915534 3.88915534 1 [/CIF]
AlEu2Np
Fm-3m
225
cubic
m-3m
8,015.532787
false
[CIF] data_TlGaP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76081115 _cell_length_b 4.76081115 _cell_length_c 4.76081115 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlGaP _chemical_formula_sum 'Tl1 Ga1 P1' _cell_volume 76.30058471 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 1.68320092 1.68320092 1.68320093 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.04960278 5.04960278 5.04960278 1 [/CIF]
GaPTl
F-43m
216
cubic
-43m
6,639.49514
false
[CIF] data_W2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69386718 _cell_length_b 5.69386718 _cell_length_c 5.95741743 _cell_angle_alpha 102.18125981 _cell_angle_beta 102.18125981 _cell_angle_gamma 31.41748819 _symmetry_Int_Tables_number 1 _chemical_formula_structural W2Se _chemical_formula_sum 'W4 Se2' _cell_volume 98.22990783 _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 Se Se0 1 -0.02725309 0.00000000 0.14254665 1 Se Se1 1 2.55099549 -0.00000000 3.50364340 1 W W2 1 6.98142144 -0.00000000 1.79939386 1 W W3 1 5.59010640 -0.00000000 4.55436530 1 W W4 1 9.91794309 -0.00000000 2.39975993 1 W W5 1 3.21767069 -0.00000000 0.19413553 1 [/CIF]
Se2W4
Cm
8
monoclinic
m
15,100.557153
false
[CIF] data_BaTaSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16271328 _cell_length_b 5.16271328 _cell_length_c 5.16271328 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTaSb _chemical_formula_sum 'Ba1 Ta1 Sb1' _cell_volume 97.30138489 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.65058957 3.65058957 3.65058957 1 Sb Sb1 1 0.00000000 -0.00000000 0.00000000 1 Ta Ta2 1 5.47588436 5.47588436 5.47588436 1 [/CIF]
BaSbTa
F-43m
216
cubic
-43m
7,509.606464
false
[CIF] data_SnSbSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09884800 _cell_length_b 6.09884800 _cell_length_c 6.09884800 _cell_angle_alpha 144.66939482 _cell_angle_beta 144.66939482 _cell_angle_gamma 50.82747592 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnSbSe _chemical_formula_sum 'Sn1 Sb1 Se1' _cell_volume 75.47352770 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 0.00000000 0.00000000 10.92134551 1 Se Se1 1 0.00000000 -0.00000000 3.65286602 1 Sn Sn2 1 0.00000000 0.00000000 7.46049733 1 [/CIF]
SbSeSn
I4mm
107
tetragonal
4mm
7,027.974049
false
[CIF] data_MnNiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29673154 _cell_length_b 4.29673154 _cell_length_c 4.29673154 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNiBi _chemical_formula_sum 'Mn1 Ni1 Bi1' _cell_volume 56.09183683 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.03824801 3.03824801 3.03824801 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 4.55737202 4.55737202 4.55737202 1 [/CIF]
BiMnNi
F-43m
216
cubic
-43m
9,550.579946
false
[CIF] data_AlCrRePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51966499 _cell_length_b 4.51966499 _cell_length_c 4.51966499 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCrRePb _chemical_formula_sum 'Al1 Cr1 Re1 Pb1' _cell_volume 65.28354595 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 3.19588576 3.19588576 3.19588576 1 Pb Pb2 1 4.79382864 4.79382864 4.79382864 1 Re Re3 1 1.59794288 1.59794288 1.59794288 1 [/CIF]
AlCrPbRe
F-43m
216
cubic
-43m
12,015.480094
false
[CIF] data_ZrAsW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58806200 _cell_length_b 4.58806200 _cell_length_c 4.58806200 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAsW2 _chemical_formula_sum 'Zr1 As1 W2' _cell_volume 68.29247268 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62212488 1.62212488 1.62212488 1 W W1 1 4.86637463 4.86637463 4.86637463 1 W W2 1 3.24424976 3.24424976 3.24424976 1 As As3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsW2Zr
F-43m
216
cubic
-43m
12,980.02882
false
[CIF] data_ZrMn2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98690273 _cell_length_b 4.45505836 _cell_length_c 4.98580445 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.80823718 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMn2Au _chemical_formula_sum 'Zr1 Mn2 Au1' _cell_volume 66.26555843 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.37131570 0.00000000 2.48990851 1 Mn Mn1 1 0.86934965 2.22752918 4.03091134 1 Mn Mn2 1 1.87328175 2.22752918 0.94890568 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuMn2Zr
P2/m
10
monoclinic
2/m
9,975.094967
false
[CIF] data_Tc2IrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76342287 _cell_length_b 4.76342287 _cell_length_c 4.76342287 _cell_angle_alpha 132.52736751 _cell_angle_beta 132.52736751 _cell_angle_gamma 69.39737174 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2IrRh _chemical_formula_sum 'Tc2 Ir1 Rh1' _cell_volume 57.59231977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 -0.00000000 3.91628192 1 Rh Rh1 1 0.00000000 0.00000000 -0.00000000 1 Tc Tc2 1 1.91741145 -0.00000000 1.95814096 1 Tc Tc3 1 -0.00000000 1.91741145 1.95814096 1 [/CIF]
IrRhTc2
I4/mmm
139
tetragonal
4/mmm
14,212.618313
false
[CIF] data_NiMoN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73986944 _cell_length_b 7.63629063 _cell_length_c 8.88865247 _cell_angle_alpha 98.83946083 _cell_angle_beta 100.29008638 _cell_angle_gamma 98.51639803 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiMoN3 _chemical_formula_sum 'Ni4 Mo4 N12' _cell_volume 372.55656456 _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 Ni Ni0 1 2.78049452 4.84576426 4.07148944 1 Ni Ni1 1 0.24070030 1.08744624 4.52305960 1 Ni Ni2 1 -1.56008547 6.68752729 2.63332969 1 Ni Ni3 1 4.58128028 -0.75431680 5.96121935 1 Mo Mo4 1 4.16444146 4.95396933 0.75061225 1 Mo Mo5 1 -1.14324665 0.97924117 7.84393680 1 Mo Mo6 1 0.88638929 2.39185459 2.08689308 1 Mo Mo7 1 2.13480552 3.54135591 6.50765597 1 N N8 1 3.24244474 5.11714265 2.40204591 1 N N9 1 -0.22124993 0.81606785 6.19250314 1 N N10 1 -0.43624603 3.30888470 1.25062515 1 N N11 1 3.45744085 2.62432580 7.34392390 1 N N12 1 -0.58159250 6.36780139 1.05371767 1 N N13 1 3.60278732 -0.43459089 7.54083137 1 N N14 1 0.16714552 0.78418182 2.75528806 1 N N15 1 2.85404930 5.14902867 5.83926098 1 N N16 1 1.84019436 2.00475712 0.63050523 1 N N17 1 1.18100046 3.92845337 7.96404382 1 N N18 1 1.25339857 2.64468980 4.77309274 1 N N19 1 1.76779624 3.28852069 3.82145631 1 [/CIF]
Mo4N12Ni4
P-1
2
triclinic
-1
3,506.410153
false
[CIF] data_LiTaIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31565025 _cell_length_b 3.31565025 _cell_length_c 5.51490618 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTaIr2 _chemical_formula_sum 'Li1 Ta1 Ir2' _cell_volume 60.62832283 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 5.36105254 1 Ir Ir1 1 1.65782513 1.65782513 1.67782676 1 Li Li2 1 0.00000000 0.00000000 2.59936163 1 Ta Ta3 1 1.65782513 1.65782513 4.14902451 1 [/CIF]
Ir2LiTa
P4mm
99
tetragonal
4mm
15,675.256326
false
[CIF] data_SrSiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36767474 _cell_length_b 4.36767474 _cell_length_c 4.36767474 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSiB _chemical_formula_sum 'Sr1 Si1 B1' _cell_volume 58.91635506 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 4.63261864 4.63261865 4.63261864 1 Sr Sr2 1 1.54420621 1.54420622 1.54420622 1 [/CIF]
BSiSr
F-43m
216
cubic
-43m
3,565.828039
false
[CIF] data_Ag2TeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36476314 _cell_length_b 3.52292585 _cell_length_c 6.49566723 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2TeRh _chemical_formula_sum 'Ag2 Te1 Rh1' _cell_volume 76.99841201 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.18336119 1 Ag Ag1 1 1.68238157 1.76146293 1.64088888 1 Rh Rh2 1 0.00000000 0.00000000 3.36468853 1 Te Te3 1 1.68238157 1.76146293 4.55456219 1 [/CIF]
Ag2RhTe
Pmm2
25
orthorhombic
mm2
9,623.633047
false
[CIF] data_Mn2BTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21446477 _cell_length_b 4.21446477 _cell_length_c 4.21446477 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2BTe _chemical_formula_sum 'Mn2 B1 Te1' _cell_volume 52.93126660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 2.98007662 2.98007662 2.98007662 1 Mn Mn2 1 4.47011493 4.47011493 4.47011493 1 Te Te3 1 1.49003831 1.49003831 1.49003831 1 [/CIF]
BMn2Te
F-43m
216
cubic
-43m
7,789.165821
false
[CIF] data_Zn2PdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34759366 _cell_length_b 4.34759366 _cell_length_c 4.34759366 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2PdRu _chemical_formula_sum 'Zn2 Pd1 Ru1' _cell_volume 58.10745345 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 1.53710648 1.53710648 1.53710648 1 Ru Ru1 1 3.07421296 3.07421296 3.07421296 1 Zn Zn2 1 4.61131944 4.61131944 4.61131944 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PdRuZn2
F-43m
216
cubic
-43m
9,666.184043
false
[CIF] data_Mo2OsBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49080092 _cell_length_b 4.49080092 _cell_length_c 4.49080092 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo2OsBr _chemical_formula_sum 'Mo2 Os1 Br1' _cell_volume 64.04075002 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58773789 1.58773789 1.58773789 1 Mo Mo2 1 4.76321367 4.76321367 4.76321367 1 Os Os3 1 3.17547578 3.17547578 3.17547578 1 [/CIF]
BrMo2Os
Fm-3m
225
cubic
m-3m
11,980.78907
false
[CIF] data_GaP2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40208675 _cell_length_b 4.40208675 _cell_length_c 3.23032321 _cell_angle_alpha 96.10293189 _cell_angle_beta 96.10293189 _cell_angle_gamma 109.03292372 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaP2Ru _chemical_formula_sum 'Ga1 P2 Ru1' _cell_volume 58.17521503 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 P P1 1 0.98181495 1.79227073 1.58784005 1 P P2 1 0.98181495 -1.79227073 1.58784005 1 Ru Ru3 1 2.55527501 -0.00000000 0.00000000 1 [/CIF]
GaP2Ru
C2/m
12
monoclinic
2/m
6,643.288422
false
[CIF] data_BeOs2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67792836 _cell_length_b 2.67792836 _cell_length_c 8.40885671 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.93746289 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeOs2Rh _chemical_formula_sum 'Be1 Os2 Rh1' _cell_volume 53.27475967 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.13949013 1 Os Os1 1 1.38048757 0.00000000 0.20077466 1 Os Os2 1 0.00000000 0.00000000 6.32333722 1 Rh Rh3 1 1.38048757 0.00000000 3.94968297 1 [/CIF]
BeOs2Rh
Cmm2
35
orthorhombic
mm2
15,347.087094
false
[CIF] data_BaLi2Y _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.43253877 _cell_length_b 11.43253877 _cell_length_c 11.43253877 _cell_angle_alpha 18.49699177 _cell_angle_beta 18.49699177 _cell_angle_gamma 18.49699177 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLi2Y _chemical_formula_sum 'Ba1 Li2 Y1' _cell_volume 131.38026150 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 16.85092020 1 Li Li1 1 0.00000000 0.00000000 8.61984659 1 Li Li2 1 -0.00000000 -0.00000000 25.08199381 1 Y Y3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
BaLi2Y
R-3m
166
trigonal
-3m
3,034.855344
false
[CIF] data_ZrCr4Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98914952 _cell_length_b 4.98914952 _cell_length_c 4.98914952 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCr4Sb _chemical_formula_sum 'Zr1 Cr4 Sb1' _cell_volume 87.81416205 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.40537353 4.40537353 2.65034939 1 Cr Cr1 1 4.40537353 2.65034939 4.40537353 1 Cr Cr2 1 2.65034939 4.40537353 4.40537353 1 Cr Cr3 1 2.65034939 2.65034939 2.65034939 1 Sb Sb4 1 5.29179219 5.29179219 5.29179219 1 Zr Zr5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr4SbZr
F-43m
216
cubic
-43m
7,960.384267
false
[CIF] data_MnB4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84282187 _cell_length_b 3.84282187 _cell_length_c 3.84282187 _cell_angle_alpha 134.78922678 _cell_angle_beta 105.85625194 _cell_angle_gamma 91.27633571 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnB4 _chemical_formula_sum 'Mn1 B4' _cell_volume 36.77498182 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 B B1 1 -0.00000000 0.94026458 1.83050390 1 B B2 1 1.47711200 1.37625142 -0.85634810 1 B B3 1 1.47711200 1.37625142 0.85634810 1 B B4 1 -0.00000000 0.94026458 3.54320010 1 [/CIF]
B4Mn
Immm
71
orthorhombic
mmm
4,433.316165
false
[CIF] data_CaSiCSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63940390 _cell_length_b 4.63940390 _cell_length_c 4.63940390 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSiCSe _chemical_formula_sum 'Ca1 Si1 C1 Se1' _cell_volume 70.61086838 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Ca Ca1 1 4.92083094 4.92083094 4.92083094 1 Se Se2 1 3.28055396 3.28055396 3.28055396 1 Si Si3 1 1.64027698 1.64027698 1.64027698 1 [/CIF]
CCaSeSi
F-43m
216
cubic
-43m
3,742.321288
false
[CIF] data_LiGaRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21950325 _cell_length_b 4.21950325 _cell_length_c 4.21950325 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiGaRu2 _chemical_formula_sum 'Li1 Ga1 Ru2' _cell_volume 53.12133475 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.98363936 2.98363936 2.98363936 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 1.49181968 1.49181968 1.49181968 1 Ru Ru3 1 4.47545904 4.47545904 4.47545904 1 [/CIF]
GaLiRu2
Fm-3m
225
cubic
m-3m
8,715.23534
false
[CIF] data_BaLu2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47449990 _cell_length_b 5.47449990 _cell_length_c 5.47449990 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLu2Sb _chemical_formula_sum 'Ba1 Lu2 Sb1' _cell_volume 116.01612553 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.87105600 3.87105600 3.87105600 1 Lu Lu1 1 1.93552800 1.93552800 1.93552800 1 Lu Lu2 1 5.80658400 5.80658400 5.80658400 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaLu2Sb
Fm-3m
225
cubic
m-3m
8,716.913222
false
[CIF] data_LaAsO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05678831 _cell_length_b 4.05678831 _cell_length_c 4.05678831 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAsO3 _chemical_formula_sum 'La1 As1 O3' _cell_volume 66.76472101 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 2.02839416 2.02839416 2.02839416 1 O O2 1 0.00000000 0.00000000 2.02839416 1 O O3 1 2.02839416 0.00000000 0.00000000 1 O O4 1 0.00000000 2.02839416 0.00000000 1 [/CIF]
AsLaO3
Pm-3m
221
cubic
m-3m
6,511.98841
false
[CIF] data_Li13(TiS2)16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.89415106 _cell_length_b 9.89415106 _cell_length_c 9.89874053 _cell_angle_alpha 90.00324532 _cell_angle_beta 90.00324532 _cell_angle_gamma 90.03883495 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li13(TiS2)16 _chemical_formula_sum 'Li13 Ti16 S32' _cell_volume 969.02930957 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.26451040 3.50630813 3.68358732 1 Li Li1 1 10.49773336 1.74545428 6.19449184 1 Li Li2 1 3.50208769 -1.72969849 6.21066509 1 Li Li3 1 8.72662540 -3.50882384 3.68378905 1 Li Li4 1 8.72483660 -0.00000000 8.66477796 1 Li Li5 1 6.97999217 1.76527724 1.21641494 1 Li Li6 1 5.26451040 -3.50630813 3.68358732 1 Li Li7 1 3.50208769 1.72969849 6.21066509 1 Li Li8 1 12.27039737 -0.00000000 8.69837716 1 Li Li9 1 8.72662540 3.50882384 3.68378905 1 Li Li10 1 6.97999217 -1.76527724 1.21641494 1 Li Li11 1 1.74755281 -0.00000000 8.69809692 1 Li Li12 1 10.49773336 -1.74545428 6.19449184 1 Ti Ti13 1 3.46979688 -1.72522058 1.21109496 1 Ti Ti14 1 8.72052464 -3.52047195 8.69673594 1 Ti Ti15 1 8.74674540 -0.00000000 3.69146771 1 Ti Ti16 1 6.99933341 5.24808066 6.20057768 1 Ti Ti17 1 12.28092611 -0.00000000 3.65465528 1 Ti Ti18 1 5.25836711 3.48487865 8.69130619 1 Ti Ti19 1 6.97436094 -1.73659792 6.21401779 1 Ti Ti20 1 10.52922519 -1.74826849 1.23183134 1 Ti Ti21 1 8.72052464 3.52047195 8.69673594 1 Ti Ti22 1 1.71989970 0.00000000 3.65573682 1 Ti Ti23 1 5.22925183 -0.00000000 3.69123162 1 Ti Ti24 1 5.25836711 -3.48487865 8.69130619 1 Ti Ti25 1 6.99933341 -5.24808066 6.20057768 1 Ti Ti26 1 10.52922519 1.74826849 1.23183134 1 Ti Ti27 1 3.46979688 1.72522058 1.21109496 1 Ti Ti28 1 6.97436094 1.73659792 6.21401779 1 S S29 1 5.22126822 -3.49732922 1.21939496 1 S S30 1 3.49558196 1.77351290 8.67962003 1 S S31 1 6.99280236 1.72598007 3.72770630 1 S S32 1 12.26221879 -0.00000000 6.16865147 1 S S33 1 3.49558196 -1.77351290 8.67962003 1 S S34 1 6.99299589 5.27372532 3.72674147 1 S S35 1 8.76556168 -3.49842660 1.21928617 1 S S36 1 8.71923750 -0.00000000 6.17071189 1 S S37 1 8.76556168 3.49842660 1.21928617 1 S S38 1 6.99280236 -1.72598007 3.72770630 1 S S39 1 1.72352559 0.00000000 6.16850932 1 S S40 1 10.48921560 -1.77344046 8.67882596 1 S S41 1 6.98160443 -1.75952243 8.64693498 1 S S42 1 1.74650736 -0.00000000 1.25577204 1 S S43 1 10.50358908 -1.72837660 3.70119154 1 S S44 1 8.72273143 3.48830376 6.20105381 1 S S45 1 6.98663349 -5.22363227 8.66020316 1 S S46 1 5.25758101 3.49165007 6.20374736 1 S S47 1 5.21293791 0.00000000 1.23861584 1 S S48 1 10.50358908 1.72837660 3.70119154 1 S S49 1 8.72273143 -3.48830376 6.20105381 1 S S50 1 8.76621343 -0.00000000 1.24120376 1 S S51 1 6.98663349 5.22363227 8.66020316 1 S S52 1 3.48358318 -1.73102802 3.69835337 1 S S53 1 6.98160443 1.75952243 8.64693498 1 S S54 1 12.23867495 -0.00000000 1.25591577 1 S S55 1 5.25758101 -3.49165007 6.20374736 1 S S56 1 5.26768317 0.00000000 6.17181283 1 S S57 1 6.99299589 -5.27372532 3.72674147 1 S S58 1 5.22126822 3.49732922 1.21939496 1 S S59 1 10.48921560 1.77344046 8.67882596 1 S S60 1 3.48358318 1.73102802 3.69835337 1 [/CIF]
Li13S32Ti16
Cm
8
monoclinic
m
3,225.3325
true
[CIF] data_Tm2TiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20242218 _cell_length_b 5.20242218 _cell_length_c 5.20242218 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2TiTe _chemical_formula_sum 'Tm2 Ti1 Te1' _cell_volume 99.56387231 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Te Te0 1 3.67866800 3.67866800 3.67866800 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Tm Tm2 1 5.51800200 5.51800200 5.51800200 1 Tm Tm3 1 1.83933400 1.83933400 1.83933400 1 [/CIF]
TeTiTm2
Fm-3m
225
cubic
m-3m
8,561.474151
false
[CIF] data_MnVSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08017778 _cell_length_b 3.08017778 _cell_length_c 7.59378249 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnVSn2 _chemical_formula_sum 'Mn1 V1 Sn2' _cell_volume 72.04597459 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54008889 1.54008889 5.29906391 1 Sn Sn1 1 0.00000000 0.00000000 7.13161441 1 Sn Sn2 1 1.54008889 1.54008889 2.33731066 1 V V3 1 0.00000000 0.00000000 4.21646732 1 [/CIF]
MnSn2V
P4mm
99
tetragonal
4mm
7,912.481637
false
[CIF] data_MgIn2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97308568 _cell_length_b 2.97308568 _cell_length_c 9.51093916 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgIn2Mo _chemical_formula_sum 'Mg1 In2 Mo1' _cell_volume 84.06945935 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.21063344 1 In In1 1 1.48654284 1.48654284 2.48779661 1 Mg Mg2 1 0.00000000 0.00000000 5.01746381 1 Mo Mo3 1 1.48654284 1.48654284 7.06145404 1 [/CIF]
In2MgMo
P4mm
99
tetragonal
4mm
6,911.242039
false
[CIF] data_SnBi2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93460435 _cell_length_b 3.93460435 _cell_length_c 7.82260445 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnBi2Pb _chemical_formula_sum 'Sn1 Bi2 Pb1' _cell_volume 121.10261086 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96730217 1.96730217 7.75672967 1 Bi Bi1 1 0.00000000 0.00000000 1.91188364 1 Pb Pb2 1 1.96730217 1.96730217 3.95580158 1 Sn Sn3 1 0.00000000 0.00000000 5.93209615 1 [/CIF]
Bi2PbSn
P4mm
99
tetragonal
4mm
10,199.833968
false
[CIF] data_MgV2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70975253 _cell_length_b 2.70975253 _cell_length_c 8.76236721 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.74164423 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgV2Os _chemical_formula_sum 'Mg1 V2 Os1' _cell_volume 59.33799120 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.34190507 1 Os Os1 1 1.50070334 0.00000000 2.02480010 1 V V2 1 0.00000000 0.00000000 8.75360449 1 V V3 1 1.50070334 0.00000000 6.78560845 1 [/CIF]
MgOsV2
Cmm2
35
orthorhombic
mm2
8,854.773136
false
[CIF] data_TaNiSnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80809752 _cell_length_b 4.80809752 _cell_length_c 4.80809752 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNiSnPb _chemical_formula_sum 'Ta1 Ni1 Sn1 Pb1' _cell_volume 78.59678918 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 -0.00000000 -0.00000000 -0.00000000 1 Pb Pb1 1 5.09975754 5.09975754 5.09975754 1 Sn Sn2 1 1.69991918 1.69991918 1.69991918 1 Ta Ta3 1 3.39983836 3.39983836 3.39983836 1 [/CIF]
NiPbSnTa
F-43m
216
cubic
-43m
11,948.579635
false
[CIF] data_ScTaV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84253037 _cell_length_b 2.84253037 _cell_length_c 8.94917288 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.88924663 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTaV2 _chemical_formula_sum 'Sc1 Ta1 V2' _cell_volume 67.55635136 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 4.61489605 1 Ta Ta1 1 1.61229032 0.00000000 1.97543568 1 V V2 1 0.00000000 0.00000000 8.79391994 1 V V3 1 1.61229032 0.00000000 6.98868053 1 [/CIF]
ScTaV2
Cmm2
35
orthorhombic
mm2
8,057.018514
false
[CIF] data_Zr2PdCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75238429 _cell_length_b 4.75238429 _cell_length_c 4.75238429 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2PdCl _chemical_formula_sum 'Zr2 Pd1 Cl1' _cell_volume 75.89613455 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 3.36044316 3.36044316 3.36044316 1 Zr Zr2 1 1.68022158 1.68022158 1.68022158 1 Zr Zr3 1 5.04066474 5.04066474 5.04066474 1 [/CIF]
ClPdZr2
Fm-3m
225
cubic
m-3m
7,095.851373
false
[CIF] data_AlTl2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.73190041 _cell_length_b 7.73190041 _cell_length_c 7.73190041 _cell_angle_alpha 28.27692803 _cell_angle_beta 28.27692803 _cell_angle_gamma 28.27692803 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTl2B _chemical_formula_sum 'Al1 Tl2 B1' _cell_volume 91.65890066 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.05284073 1 B B1 1 0.00000000 0.00000000 4.64651850 1 Tl Tl2 1 0.00000000 -0.00000000 21.66104932 1 Tl Tl3 1 0.00000000 -0.00000000 17.27439342 1 [/CIF]
AlBTl2
R3m
160
trigonal
3m
8,090.091522
false
[CIF] data_Ca2VFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73425609 _cell_length_b 3.73425609 _cell_length_c 6.93000953 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2VFe _chemical_formula_sum 'Ca2 V1 Fe1' _cell_volume 96.63668591 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86712805 1.86712805 1.79731724 1 Ca Ca1 1 1.86712805 1.86712805 5.13269229 1 Fe Fe2 1 0.00000000 0.00000000 3.46500477 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca2FeV
P4/mmm
123
tetragonal
4/mmm
3,212.800977
false
[CIF] data_LiAlInHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93971309 _cell_length_b 4.93971309 _cell_length_c 4.93971309 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAlInHg _chemical_formula_sum 'Li1 Al1 In1 Hg1' _cell_volume 85.22954609 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 5.23935693 5.23935693 5.23935693 1 Hg Hg1 1 3.49290462 3.49290462 3.49290462 1 In In2 1 1.74645231 1.74645231 1.74645231 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AlHgInLi
F-43m
216
cubic
-43m
6,806.055331
false
[CIF] data_HfTi2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61147770 _cell_length_b 4.61147770 _cell_length_c 4.61147770 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTi2Re _chemical_formula_sum 'Hf1 Ti2 Re1' _cell_volume 69.34343315 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.26080715 3.26080715 3.26080715 1 Re Re1 1 4.89121073 4.89121073 4.89121073 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 1.63040358 1.63040358 1.63040358 1 [/CIF]
HfReTi2
F-43m
216
cubic
-43m
11,025.754398
false
[CIF] data_YTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20642570 _cell_length_b 5.20642570 _cell_length_c 10.32398402 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTl _chemical_formula_sum 'Y4 Tl4' _cell_volume 242.35797001 _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 Tl Tl0 1 0.00000000 0.00000000 2.58099601 1 Tl Tl1 1 0.00000000 0.00000000 7.74298802 1 Tl Tl2 1 2.60321285 1.50296564 7.74298802 1 Tl Tl3 1 0.00000000 3.00593128 2.58099601 1 Y Y4 1 2.60321285 1.50296564 0.97613011 1 Y Y5 1 0.00000000 3.00593128 6.13812212 1 Y Y6 1 0.00000000 3.00593128 9.34785391 1 Y Y7 1 2.60321285 1.50296564 4.18586190 1 [/CIF]
Tl4Y4
P6_3/mmc
194
hexagonal
6/mmm
8,037.99588
false
[CIF] data_Sr2BBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55446226 _cell_length_b 5.55446226 _cell_length_c 5.55446226 _cell_angle_alpha 130.83486390 _cell_angle_beta 111.04697694 _cell_angle_gamma 89.25430988 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2BBr _chemical_formula_sum 'Sr2 B1 Br1' _cell_volume 114.88025189 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 -0.00000000 -0.00000000 3.95307294 1 Sr Sr2 1 2.31067931 0.00000000 1.82968171 1 Sr Sr3 1 -0.00000000 3.14420522 2.12339123 1 [/CIF]
BBrSr2
Immm
71
orthorhombic
mmm
3,844.252256
false
[CIF] data_BiMoW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66306924 _cell_length_b 4.66306924 _cell_length_c 4.66306924 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiMoW2 _chemical_formula_sum 'Bi1 Mo1 W2' _cell_volume 71.69693568 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64864394 1.64864394 1.64864394 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 4.94593182 4.94593182 4.94593182 1 W W3 1 3.29728788 3.29728788 3.29728788 1 [/CIF]
BiMoW2
F-43m
216
cubic
-43m
15,578.245299
false
[CIF] data_Be2PtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97605498 _cell_length_b 3.97605498 _cell_length_c 3.97605498 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2PtRh _chemical_formula_sum 'Be2 Pt1 Rh1' _cell_volume 44.44696863 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40574772 1.40574772 1.40574772 1 Be Be1 1 4.21724316 4.21724316 4.21724316 1 Pt Pt2 1 2.81149544 2.81149544 2.81149544 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2PtRh
Fm-3m
225
cubic
m-3m
11,806.284547
false
[CIF] data_CoRe2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26794436 _cell_length_b 5.26794436 _cell_length_c 5.26794436 _cell_angle_alpha 149.87452303 _cell_angle_beta 130.60020526 _cell_angle_gamma 58.95539198 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoRe2Ru _chemical_formula_sum 'Co1 Re2 Ru1' _cell_volume 55.28145953 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 6.91783967 1 Re Re1 1 -0.00000000 2.20129192 4.33198438 1 Re Re2 1 0.00000000 -0.00000000 2.24640307 1 Ru Ru3 1 -0.00000000 2.20129192 0.26175740 1 [/CIF]
CoRe2Ru
Imm2
44
orthorhombic
mm2
15,992.695553
false
[CIF] data_InTcPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86250005 _cell_length_b 2.86250005 _cell_length_c 8.02152385 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InTcPt2 _chemical_formula_sum 'In1 Tc1 Pt2' _cell_volume 65.72761665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.01076192 1 Pt Pt1 1 1.43125002 1.43125002 6.13829570 1 Pt Pt2 1 1.43125002 1.43125002 1.88322815 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InPt2Tc
P4/mmm
123
tetragonal
4/mmm
15,256.704117
false
[CIF] data_ScTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.81895381 _cell_length_b 7.81895381 _cell_length_c 5.76680145 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 149.15425791 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTe2 _chemical_formula_sum 'Sc2 Te4' _cell_volume 180.76723383 _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 Sc Sc0 1 2.07937992 -4.88058212 4.32510109 1 Sc Sc1 1 2.07937992 4.88058212 1.44170036 1 Te Te2 1 2.07937992 4.76184670 4.32510109 1 Te Te3 1 2.07937992 0.49999467 4.32510109 1 Te Te4 1 2.07937992 -0.49999467 1.44170036 1 Te Te5 1 2.07937992 -4.76184670 1.44170036 1 [/CIF]
Sc2Te4
Cmcm
63
orthorhombic
mmm
5,514.501797
false
[CIF] data_Re2PtCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88226161 _cell_length_b 3.78938925 _cell_length_c 6.68050679 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2PtCl _chemical_formula_sum 'Re2 Pt1 Cl1' _cell_volume 72.96456972 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.00000000 0.00000000 3.34025339 1 Re Re2 1 1.44113081 1.89469463 4.56363757 1 Re Re3 1 1.44113081 1.89469463 2.11686922 1 [/CIF]
ClPtRe2
Pmmm
47
orthorhombic
mmm
13,722.052972
false
[CIF] data_YTiBe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53441069 _cell_length_b 4.53441069 _cell_length_c 3.13446640 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTiBe2 _chemical_formula_sum 'Y1 Ti1 Be2' _cell_volume 64.44738854 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 2.26720535 0.00000000 1.56723320 1 Be Be1 1 0.00000000 2.26720535 1.56723320 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 2.26720535 2.26720535 0.00000000 1 [/CIF]
Be2TiY
P4/mmm
123
tetragonal
4/mmm
3,988.478542
false
[CIF] data_HfN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20356921 _cell_length_b 3.20356921 _cell_length_c 3.20356921 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfN _chemical_formula_sum 'Hf1 N1' _cell_volume 23.24809296 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.26526551 2.26526551 2.26526551 1 N N1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfN
Fm-3m
225
cubic
m-3m
13,749.441343
false
[CIF] data_AgBiPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39267920 _cell_length_b 3.39267920 _cell_length_c 6.77310481 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgBiPt2 _chemical_formula_sum 'Ag1 Bi1 Pt2' _cell_volume 77.96027969 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.08431432 1 Bi Bi1 1 1.69633960 1.69633960 5.32304322 1 Pt Pt2 1 0.00000000 0.00000000 0.14192323 1 Pt Pt3 1 1.69633960 1.69633960 1.61037652 1 [/CIF]
AgBiPt2
P4mm
99
tetragonal
4mm
15,059.318536
false
[CIF] data_Ta3Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50758100 _cell_length_b 4.50758100 _cell_length_c 3.22741758 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Mn _chemical_formula_sum 'Ta3 Mn1' _cell_volume 65.57559488 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 2.25379050 0.00000000 1.61370879 1 Ta Ta2 1 0.00000000 2.25379050 1.61370879 1 Ta Ta3 1 2.25379050 2.25379050 0.00000000 1 [/CIF]
MnTa3
P4/mmm
123
tetragonal
4/mmm
15,137.33643
false
[CIF] data_CaSi2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11854661 _cell_length_b 3.11854661 _cell_length_c 6.35880951 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSi2B _chemical_formula_sum 'Ca1 Si2 B1' _cell_volume 61.84153971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 0.00000000 0.00000000 3.17940476 1 Si Si2 1 1.55927331 1.55927331 5.25090485 1 Si Si3 1 1.55927331 1.55927331 1.10790466 1 [/CIF]
BCaSi2
P4/mmm
123
tetragonal
4/mmm
2,874.731776
false
[CIF] data_LaBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85392673 _cell_length_b 5.85392673 _cell_length_c 6.71988487 _cell_angle_alpha 96.97161003 _cell_angle_beta 96.97161003 _cell_angle_gamma 37.27432296 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBe _chemical_formula_sum 'La3 Be3' _cell_volume 138.31603947 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 7.90555091 -0.00000000 2.56240299 1 Be Be1 1 2.41376923 -0.00000000 3.56472140 1 Be Be2 1 3.52830432 -0.00000000 1.84602082 1 La La3 1 0.48452779 0.00000000 0.97230958 1 La La4 1 10.52884511 -0.00000000 3.91648035 1 La La5 1 7.83083521 -0.00000000 6.02088885 1 [/CIF]
Be3La3
Cm
8
monoclinic
m
5,327.430732
false
[CIF] data_ZrIrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48221093 _cell_length_b 4.48221093 _cell_length_c 4.48221093 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrIrAu _chemical_formula_sum 'Zr1 Ir1 Au1' _cell_volume 63.67396168 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.16940174 3.16940174 3.16940174 1 Ir Ir1 1 4.75410261 4.75410261 4.75410261 1 Zr Zr2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuIrZr
F-43m
216
cubic
-43m
12,528.442007
false
[CIF] data_Sc2TlCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95543228 _cell_length_b 4.41537807 _cell_length_c 4.52737684 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2TlCr _chemical_formula_sum 'Sc2 Tl1 Cr1' _cell_volume 79.06940935 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97771614 0.00000000 2.26368842 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 0.00000000 2.20768904 2.26368842 1 Tl Tl3 1 1.97771614 2.20768904 0.00000000 1 [/CIF]
CrSc2Tl
Pmmm
47
orthorhombic
mmm
7,272.47251
false
[CIF] data_SrTa2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48762151 _cell_length_b 3.48762151 _cell_length_c 7.54325206 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTa2Ge _chemical_formula_sum 'Sr1 Ta2 Ge1' _cell_volume 91.75237507 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.30674740 1 Sr Sr1 1 1.74381075 1.74381075 5.55603398 1 Ta Ta2 1 0.00000000 0.00000000 0.57984601 1 Ta Ta3 1 1.74381075 1.74381075 1.87225070 1 [/CIF]
GeSrTa2
P4mm
99
tetragonal
4mm
9,450.001023
false
[CIF] data_CdReTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16748134 _cell_length_b 4.16748134 _cell_length_c 7.58802441 _cell_angle_alpha 97.37641418 _cell_angle_beta 97.37641418 _cell_angle_gamma 48.82745595 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdReTe2 _chemical_formula_sum 'Cd1 Re1 Te2' _cell_volume 98.20990521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 3.25990997 -0.00000000 3.75611150 1 Te Te2 1 5.54526995 -0.00000000 2.28399645 1 Te Te3 1 0.97454999 -0.00000000 5.22822655 1 [/CIF]
CdReTe2
C2/m
12
monoclinic
2/m
9,363.988518
false
[CIF] data_AsSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85092719 _cell_length_b 4.85092719 _cell_length_c 3.41509007 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsSe3 _chemical_formula_sum 'As1 Se3' _cell_volume 80.36217371 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Se Se1 1 0.00000000 2.42546360 1.70754504 1 Se Se2 1 2.42546360 0.00000000 1.70754504 1 Se Se3 1 2.42546360 2.42546360 0.00000000 1 [/CIF]
AsSe3
P4/mmm
123
tetragonal
4/mmm
6,442.818025
false
[CIF] data_LiZnCdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44427436 _cell_length_b 4.44427436 _cell_length_c 4.44427436 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZnCdRu _chemical_formula_sum 'Li1 Zn1 Cd1 Ru1' _cell_volume 62.07083503 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.57128827 1.57128827 1.57128827 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 3.14257654 3.14257654 3.14257654 1 Zn Zn3 1 4.71386481 4.71386481 4.71386481 1 [/CIF]
CdLiRuZn
F-43m
216
cubic
-43m
7,645.867598
false
[CIF] data_KTiAlIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64385402 _cell_length_b 4.64385402 _cell_length_c 4.64385402 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTiAlIr _chemical_formula_sum 'K1 Ti1 Al1 Ir1' _cell_volume 70.81425335 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 4.92555101 4.92555101 4.92555100 1 K K2 1 1.64185033 1.64185033 1.64185033 1 Ti Ti3 1 3.28370067 3.28370067 3.28370067 1 [/CIF]
AlIrKTi
F-43m
216
cubic
-43m
7,179.30347
false
[CIF] data_GaOsRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.78658474 _cell_length_b 8.78658474 _cell_length_c 8.78658474 _cell_angle_alpha 18.07624101 _cell_angle_beta 18.07624101 _cell_angle_gamma 18.07624101 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaOsRu2 _chemical_formula_sum 'Ga1 Os1 Ru2' _cell_volume 57.02844622 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 -0.00000000 -0.00000000 12.96123025 1 Ru Ru2 1 -0.00000000 0.00000000 19.44500481 1 Ru Ru3 1 -0.00000000 -0.00000000 6.47745570 1 [/CIF]
GaOsRu2
R-3m
166
trigonal
-3m
13,455.100573
false
[CIF] data_LiMnAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94758456 _cell_length_b 3.94758456 _cell_length_c 3.94758456 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMnAs _chemical_formula_sum 'Li1 Mn1 As1' _cell_volume 43.49900534 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 2.79136381 2.79136381 2.79136381 1 As As2 1 4.18704572 4.18704572 4.18704572 1 [/CIF]
AsLiMn
F-43m
216
cubic
-43m
5,222.253097
false
[CIF] data_ZrPb2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45446153 _cell_length_b 3.45446153 _cell_length_c 7.29686368 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPb2W _chemical_formula_sum 'Zr1 Pb2 W1' _cell_volume 87.07569566 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72723076 1.72723076 1.97439544 1 Pb Pb1 1 1.72723076 1.72723076 5.32246824 1 W W2 1 0.00000000 0.00000000 3.64843184 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pb2WZr
P4/mmm
123
tetragonal
4/mmm
13,148.122791
false
[CIF] data_In2OsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24457049 _cell_length_b 3.24457049 _cell_length_c 6.48253519 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2OsRu _chemical_formula_sum 'In2 Os1 Ru1' _cell_volume 68.24318861 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62228525 1.62228525 1.60501491 1 In In1 1 1.62228525 1.62228525 4.87752028 1 Os Os2 1 0.00000000 0.00000000 3.24126760 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In2OsRu
P4/mmm
123
tetragonal
4/mmm
12,675.764377
false
[CIF] data_KBaPtPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50414424 _cell_length_b 5.50414424 _cell_length_c 5.50414424 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBaPtPb _chemical_formula_sum 'K1 Ba1 Pt1 Pb1' _cell_volume 117.91102708 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94600886 1.94600886 1.94600886 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 3.89201772 3.89201772 3.89201772 1 Pt Pt3 1 5.83802658 5.83802658 5.83802658 1 [/CIF]
BaKPbPt
F-43m
216
cubic
-43m
8,149.95361
false
[CIF] data_Rb3InSi5(HO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.30714797 _cell_length_b 7.30714797 _cell_length_c 13.82229907 _cell_angle_alpha 98.05732363 _cell_angle_beta 98.05732363 _cell_angle_gamma 103.56698009 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb3InSi5(HO7)2 _chemical_formula_sum 'Rb6 In2 Si10 H4 O28' _cell_volume 698.78267897 _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 H H0 1 3.16063938 -0.69636162 3.85225618 1 H H1 1 1.64502517 -0.92243676 4.96728848 1 H H2 1 1.59478370 0.69636162 10.58368128 1 H H3 1 0.07916948 0.92243676 11.69871358 1 In In4 1 2.63080112 -2.88563202 2.40062302 1 In In5 1 1.06494543 2.88563202 9.13204811 1 O O6 1 4.95465426 0.25005163 0.10064733 1 O O7 1 2.91506233 -1.42076688 0.81175103 1 O O8 1 7.34725107 1.29847652 0.87509388 1 O O9 1 2.93764670 1.19150534 1.52099525 1 O O10 1 6.46554723 -1.05275119 1.85872310 1 O O11 1 5.01762290 2.89545183 2.03237152 1 O O12 1 4.76444548 -2.95739081 2.71642352 1 O O13 1 2.79184135 2.86105789 3.53033493 1 O O14 1 7.03744444 1.27569653 3.89863288 1 O O15 1 4.36032224 0.87907187 3.74319337 1 O O16 1 2.46599936 -1.38181688 3.94537441 1 O O17 1 5.80160990 -1.10996888 4.45581178 1 O O18 1 0.99218590 -0.49903472 5.72190910 1 O O19 1 5.62875639 0.92205934 6.11433759 1 O O20 1 3.38879857 -0.25005163 6.83207242 1 O O21 1 1.34920664 1.42076688 7.54317613 1 O O22 1 5.78139538 -1.29847652 7.60651898 1 O O23 1 1.37179101 -1.19150534 8.25242035 1 O O24 1 4.89969155 1.05275119 8.59014820 1 O O25 1 3.45176721 -2.89545183 8.76379662 1 O O26 1 3.19858979 2.95739081 9.44784861 1 O O27 1 1.22598566 -2.86105789 10.26176003 1 O O28 1 5.47158875 -1.27569653 10.63005797 1 O O29 1 2.79446655 -0.87907187 10.47461846 1 O O30 1 0.90014367 1.38181688 10.67679951 1 O O31 1 4.23575421 1.10996888 11.18723688 1 O O32 1 -0.57366979 0.49903472 12.45333420 1 O O33 1 4.06290070 -0.92205934 12.84576268 1 Rb Rb34 1 0.27340432 -0.03416075 2.76472486 1 Rb Rb35 1 3.86487917 -3.12399575 5.92558129 1 Rb Rb36 1 3.49283821 3.22080374 6.34457669 1 Rb Rb37 1 -1.29245136 0.03416075 9.49614995 1 Rb Rb38 1 2.29902348 3.12399575 12.65700639 1 Rb Rb39 1 1.92698252 -3.22080374 13.07600179 1 Si Si40 1 3.33386603 0.05752587 0.36771446 1 Si Si41 1 6.49639114 -0.02302795 0.59268515 1 Si Si42 1 3.85252230 1.98807528 2.63847658 1 Si Si43 1 5.98927539 -2.01829512 3.08889063 1 Si Si44 1 5.77248720 0.53769079 4.51618270 1 Si Si45 1 1.76801034 -0.05752587 7.09913956 1 Si Si46 1 4.93053545 0.02302795 7.32411025 1 Si Si47 1 2.28666661 -1.98807528 9.36990167 1 Si Si48 1 4.42341971 2.01829512 9.82031573 1 Si Si49 1 4.20663151 -0.53769079 11.24760780 1 [/CIF]
H4In2O28Rb6Si10
Cc
9
monoclinic
m
3,505.831709
true
[CIF] data_KZrV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26269219 _cell_length_b 4.35202915 _cell_length_c 7.43366407 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZrV2 _chemical_formula_sum 'K1 Zr1 V2' _cell_volume 105.55306053 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 V V1 1 1.63134610 2.17601457 2.72071919 1 V V2 1 1.63134610 2.17601457 4.71294488 1 Zr Zr3 1 0.00000000 0.00000000 3.71683203 1 [/CIF]
KV2Zr
Pmmm
47
orthorhombic
mmm
3,653.006082
false
[CIF] data_HfMnCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36183005 _cell_length_b 4.36183005 _cell_length_c 4.36183005 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMnCl _chemical_formula_sum 'Hf1 Mn1 Cl1' _cell_volume 58.68015117 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 1.54213981 1.54213981 1.54213981 1 Mn Mn2 1 3.08427961 3.08427961 3.08427961 1 [/CIF]
ClHfMn
F-43m
216
cubic
-43m
7,608.83315
false
[CIF] data_SiBiP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83115445 _cell_length_b 4.83115445 _cell_length_c 4.31562206 _cell_angle_alpha 107.35828633 _cell_angle_beta 107.35828633 _cell_angle_gamma 110.90811837 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiBiP2 _chemical_formula_sum 'Si1 Bi1 P2' _cell_volume 80.01875466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.73958756 0.00000000 0.00000000 1 P P1 1 0.23452330 -1.98964276 1.83502299 1 P P2 1 0.23452330 1.98964276 1.83502299 1 Si Si3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
BiP2Si
C2/m
12
monoclinic
2/m
6,205.088721
false
[CIF] data_YBiTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.34487674 _cell_length_b 9.34487674 _cell_length_c 9.34487674 _cell_angle_alpha 25.31117598 _cell_angle_beta 25.31117598 _cell_angle_gamma 25.31117598 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBiTe2 _chemical_formula_sum 'Y1 Bi1 Te2' _cell_volume 131.27865845 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 -0.00000000 0.00000000 13.56134089 1 Te Te1 1 0.00000000 0.00000000 7.09839069 1 Te Te2 1 -0.00000000 0.00000000 20.02429109 1 Y Y3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
BiTe2Y
R-3m
166
trigonal
-3m
6,995.968235
false
[CIF] data_LaY2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40348968 _cell_length_b 6.40348968 _cell_length_c 6.40348968 _cell_angle_alpha 146.75610302 _cell_angle_beta 128.72300780 _cell_angle_gamma 62.49018526 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaY2W _chemical_formula_sum 'La1 Y2 W1' _cell_volume 111.14315616 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.55107942 1 W W1 1 1.83175315 -0.00000000 2.64633158 1 Y Y2 1 -0.00000000 -0.00000000 4.99472671 1 Y Y3 1 -0.00000000 2.77073605 2.75726999 1 [/CIF]
LaWY2
Imm2
44
orthorhombic
mm2
7,478.827581
false
[CIF] data_TcPOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96366408 _cell_length_b 3.96366408 _cell_length_c 3.96366408 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcPOs _chemical_formula_sum 'Tc1 P1 Os1' _cell_volume 44.03272119 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.20410062 4.20410063 4.20410063 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.40136687 1.40136687 1.40136687 1 [/CIF]
OsPTc
F-43m
216
cubic
-43m
12,071.820299
false
[CIF] data_CuBi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28565233 _cell_length_b 5.28565233 _cell_length_c 4.04708388 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 101.91194178 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuBi3 _chemical_formula_sum 'Cu1 Bi3' _cell_volume 110.63311115 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66476220 2.05258299 2.02354194 1 Bi Bi1 1 1.66476220 -2.05258299 2.02354194 1 Bi Bi2 1 3.32952440 0.00000000 0.00000000 1 Cu Cu3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi3Cu
Cmmm
65
orthorhombic
mmm
10,363.813858
false
[CIF] data_Cu2GeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75734837 _cell_length_b 2.75734837 _cell_length_c 8.90453885 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2GeSe _chemical_formula_sum 'Cu2 Ge1 Se1' _cell_volume 67.70094208 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.30000371 1 Cu Cu1 1 1.37867419 1.37867419 1.98055991 1 Ge Ge2 1 0.00000000 0.00000000 3.82972239 1 Se Se3 1 1.37867419 1.37867419 7.24652226 1 [/CIF]
Cu2GeSe
P4mm
99
tetragonal
4mm
6,835.931145
false
[CIF] data_MgTiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01371495 _cell_length_b 6.01371495 _cell_length_c 6.01371495 _cell_angle_alpha 150.93171861 _cell_angle_beta 150.93171861 _cell_angle_gamma 41.57543763 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTiIr _chemical_formula_sum 'Mg1 Ti1 Ir1' _cell_volume 51.22153513 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 -0.00000000 0.00000000 0.10922604 1 Mg Mg1 1 0.00000000 -0.00000000 3.92558830 1 Ti Ti2 1 -0.00000000 -0.00000000 7.20965118 1 [/CIF]
IrMgTi
I4mm
107
tetragonal
4mm
8,571.226379
false
[CIF] data_NaFeCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.52644243 _cell_length_b 4.39155402 _cell_length_c 5.26556639 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.23988725 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaFeCu2 _chemical_formula_sum 'Na1 Fe1 Cu2' _cell_volume 58.17736362 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 2.11564576 2.19577701 0.04467604 1 Cu Cu1 1 2.15611346 0.00000000 1.50626984 1 Fe Fe2 1 0.92236296 2.19577701 2.21589151 1 Na Na3 1 0.40066039 0.00000000 4.09850548 1 [/CIF]
Cu2FeNa
Pm
6
monoclinic
m
5,877.706104
false
[CIF] data_CoNiP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16547756 _cell_length_b 4.16547756 _cell_length_c 4.15942308 _cell_angle_alpha 104.00657669 _cell_angle_beta 104.00657669 _cell_angle_gamma 43.41603794 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoNiP2 _chemical_formula_sum 'Co1 Ni1 P2' _cell_volume 47.88977227 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 3.22527219 0.00000000 1.83603221 1 Ni Ni1 1 1.18827687 -0.00000000 3.26935675 1 P P2 1 6.73938478 0.00000000 3.56833382 1 P P3 1 5.48848199 0.00000000 1.36578941 1 [/CIF]
CoNiP2
Cm
8
monoclinic
m
6,226.587136
false
[CIF] data_Ta2RhW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79538359 _cell_length_b 2.79538359 _cell_length_c 8.58526999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2RhW _chemical_formula_sum 'Ta2 Rh1 W1' _cell_volume 67.08675418 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 0.00000000 0.00000000 6.37095338 1 Ta Ta1 1 1.39769180 1.39769180 8.40916000 1 Ta Ta2 1 0.00000000 0.00000000 2.18953412 1 W W3 1 1.39769180 1.39769180 4.49352748 1 [/CIF]
RhTa2W
P4mm
99
tetragonal
4mm
16,055.243179
false
[CIF] data_HfZrIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66865569 _cell_length_b 4.66865569 _cell_length_c 3.29592243 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrIr2 _chemical_formula_sum 'Hf1 Zr1 Ir2' _cell_volume 71.83906551 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.33432784 2.33432784 0.00000000 1 Ir Ir1 1 2.33432784 0.00000000 1.64796122 1 Ir Ir2 1 0.00000000 2.33432784 1.64796122 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfIr2Zr
P4/mmm
123
tetragonal
4/mmm
15,120.440412
false
[CIF] data_LiNbGaPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80239083 _cell_length_b 4.80239083 _cell_length_c 4.80239083 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNbGaPb _chemical_formula_sum 'Li1 Nb1 Ga1 Pb1' _cell_volume 78.31726358 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 1.69790156 1.69790156 1.69790156 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 3.39580312 3.39580312 3.39580312 1 Pb Pb3 1 5.09370468 5.09370468 5.09370468 1 [/CIF]
GaLiNbPb
F-43m
216
cubic
-43m
7,988.55714
false
[CIF] data_InRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04958357 _cell_length_b 4.04958357 _cell_length_c 4.04958357 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InRh _chemical_formula_sum 'In1 Rh1' _cell_volume 46.95870352 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.43174400 1.43174400 1.43174400 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InRh
F-43m
216
cubic
-43m
7,699.07068
false
[CIF] data_VTePt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88690228 _cell_length_b 4.88690228 _cell_length_c 4.54386679 _cell_angle_alpha 100.20383645 _cell_angle_beta 100.20383645 _cell_angle_gamma 41.06597186 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTePt2 _chemical_formula_sum 'V1 Te1 Pt2' _cell_volume 69.99989848 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.57495113 0.00000000 1.02500322 1 Pt Pt1 1 1.71837152 0.00000000 3.43682249 1 Te Te2 1 4.14666133 -0.00000000 2.23091285 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pt2TeV
C2/m
12
monoclinic
2/m
13,490.938742
false
[CIF] data_Be2GaAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24056953 _cell_length_b 4.24056953 _cell_length_c 2.93002700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 103.53865401 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2GaAg _chemical_formula_sum 'Be2 Ga1 Ag1' _cell_volume 51.22489415 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.62418745 0.00000000 0.00000000 1 Be Be1 1 1.31209373 -1.66553822 1.46501350 1 Be Be2 1 1.31209372 1.66553821 1.46501350 1 Ga Ga3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
AgBe2Ga
Cmmm
65
orthorhombic
mmm
6,341.199751
false
[CIF] data_YMoAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50145874 _cell_length_b 4.50145874 _cell_length_c 4.50145874 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMoAs _chemical_formula_sum 'Y1 Mo1 As1' _cell_volume 64.49778844 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 4.77451800 4.77451800 4.77451800 1 Y Y2 1 1.59150600 1.59150600 1.59150600 1 [/CIF]
AsMoY
F-43m
216
cubic
-43m
6,688.403124
false
[CIF] data_KScB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55849844 _cell_length_b 4.55849844 _cell_length_c 4.55849844 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KScB2 _chemical_formula_sum 'K1 Sc1 B2' _cell_volume 66.98081601 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.83501774 4.83501774 4.83501774 1 B B1 1 1.61167258 1.61167258 1.61167258 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 3.22334516 3.22334516 3.22334516 1 [/CIF]
B2KSc
Fm-3m
225
cubic
m-3m
2,619.846829
false