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_Cu2RePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86248302 _cell_length_b 2.86248302 _cell_length_c 8.35744066 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.22050389 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2RePb _chemical_formula_sum 'Cu2 Re1 Pb1' _cell_volume 68.46373674 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.00240846 0.00000000 1.70791445 1 Cu Cu1 1 2.00240846 0.00000000 6.64952621 1 Pb Pb2 1 0.00000000 0.00000000 4.17872033 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2PbRe
Cmmm
65
orthorhombic
mmm
12,624.331724
false
[CIF] data_La2NbPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93988950 _cell_length_b 5.93988950 _cell_length_c 3.36568718 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.10650983 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2NbPb _chemical_formula_sum 'La2 Nb1 Pb1' _cell_volume 112.20745667 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 1.72240760 -2.41948009 1.68284359 1 La La1 1 1.72240760 2.41948009 1.68284359 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 3.44481519 0.00000000 0.00000000 1 [/CIF]
La2NbPb
Cmmm
65
orthorhombic
mmm
8,552.502289
false
[CIF] data_TiMnMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68482084 _cell_length_b 4.68482084 _cell_length_c 5.16816254 _cell_angle_alpha 92.24313360 _cell_angle_beta 92.24313360 _cell_angle_gamma 32.90623408 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMnMo2 _chemical_formula_sum 'Ti1 Mn1 Mo2' _cell_volume 61.57047900 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.68045129 -0.00000000 1.35067734 1 Mo Mo1 1 -0.13592256 0.00000000 5.15786757 1 Mo Mo2 1 2.08691297 0.00000000 3.88444034 1 Ti Ti3 1 4.32021861 0.00000000 2.51665679 1 [/CIF]
MnMo2Ti
Cm
8
monoclinic
m
7,948.654275
false
[CIF] data_HfHg2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53439842 _cell_length_b 5.53439842 _cell_length_c 5.53439842 _cell_angle_alpha 132.27722960 _cell_angle_beta 132.27722960 _cell_angle_gamma 69.79152373 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfHg2Br _chemical_formula_sum 'Hf1 Hg2 Br1' _cell_volume 91.00796090 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 2.23880434 0.00000000 2.26964073 1 Hg Hg2 1 0.00000000 -0.00000000 4.53928146 1 Hg Hg3 1 -0.00000000 2.23880434 2.26964073 1 [/CIF]
BrHfHg2
I-4m2
119
tetragonal
-42m
12,034.643822
false
[CIF] data_YHfVSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94728266 _cell_length_b 4.94728266 _cell_length_c 4.94728266 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHfVSn _chemical_formula_sum 'Y1 Hf1 V1 Sn1' _cell_volume 85.62196210 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.49825712 3.49825712 3.49825712 1 Sn Sn1 1 1.74912856 1.74912856 1.74912856 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 5.24738568 5.24738568 5.24738568 1 [/CIF]
HfSnVY
F-43m
216
cubic
-43m
8,476.028589
false
[CIF] data_MoAsRu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65442658 _cell_length_b 4.65442658 _cell_length_c 4.65442658 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoAsRu3 _chemical_formula_sum 'Mo1 As1 Ru3' _cell_volume 100.83203961 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 2.32721329 0.00000000 2.32721329 1 Ru Ru1 1 2.32721329 2.32721329 0.00000000 1 Ru Ru2 1 0.00000000 2.32721329 2.32721329 1 Mo Mo3 1 2.32721329 2.32721329 2.32721329 1 As As4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsMoRu3
Pm-3m
221
cubic
m-3m
7,807.514615
false
[CIF] data_NaOsCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87990537 _cell_length_b 4.87990537 _cell_length_c 4.87990537 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaOsCl _chemical_formula_sum 'Na1 Os1 Cl1' _cell_volume 82.17111947 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.17592127 5.17592127 5.17592127 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.72530709 1.72530709 1.72530709 1 [/CIF]
ClNaOs
F-43m
216
cubic
-43m
5,025.255234
false
[CIF] data_Ag4BCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54522450 _cell_length_b 5.54522450 _cell_length_c 5.54522450 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag4BCl _chemical_formula_sum 'Ag4 B1 Cl1' _cell_volume 120.57087239 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.93631604 2.93631604 4.90581566 1 Ag Ag1 1 2.93631604 4.90581566 2.93631604 1 Ag Ag2 1 4.90581566 2.93631604 2.93631604 1 Ag Ag3 1 4.90581566 4.90581566 4.90581566 1 B B4 1 0.00000000 0.00000000 0.00000000 1 Cl Cl5 1 1.96053293 1.96053293 1.96053293 1 [/CIF]
Ag4BCl
F-43m
216
cubic
-43m
6,579.537862
false
[CIF] data_Cr2CoTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60111580 _cell_length_b 4.60111580 _cell_length_c 4.60111580 _cell_angle_alpha 129.76593215 _cell_angle_beta 129.76593215 _cell_angle_gamma 73.78123869 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2CoTe _chemical_formula_sum 'Cr2 Co1 Te1' _cell_volume 56.14522398 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.67989397 1 Cr Cr1 1 1.95302931 -0.00000000 1.83994698 1 Cr Cr2 1 0.00000000 0.00000000 -0.00000000 1 Te Te3 1 -0.00000000 1.95302931 1.83994699 1 [/CIF]
CoCr2Te
I-4m2
119
tetragonal
-42m
8,592.522235
false
[CIF] data_Bi2PtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52302579 _cell_length_b 3.52302579 _cell_length_c 7.73358523 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2PtAu _chemical_formula_sum 'Bi2 Pt1 Au1' _cell_volume 95.98702261 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76151289 1.76151289 5.54793515 1 Bi Bi1 1 0.00000000 0.00000000 7.27011959 1 Bi Bi2 1 1.76151289 1.76151289 2.50090535 1 Pt Pt3 1 0.00000000 0.00000000 4.01500299 1 [/CIF]
AuBi2Pt
P4mm
99
tetragonal
4mm
14,013.496396
false
[CIF] data_ReNiPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31371835 _cell_length_b 4.31371835 _cell_length_c 4.31371835 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReNiPd2 _chemical_formula_sum 'Re1 Ni1 Pd2' _cell_volume 56.75973522 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 3.05025950 3.05025950 3.05025950 1 Pd Pd2 1 4.57538925 4.57538925 4.57538925 1 Re Re3 1 1.52512975 1.52512975 1.52512975 1 [/CIF]
NiPd2Re
F-43m
216
cubic
-43m
13,391.461633
false
[CIF] data_ZnCo2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.61469251 _cell_length_b 4.06674738 _cell_length_c 4.87940072 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.17515843 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCo2Mo _chemical_formula_sum 'Zn1 Co2 Mo1' _cell_volume 50.51839922 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.11249573 2.03337369 4.63402985 1 Co Co1 1 2.09499674 0.00000000 1.24488038 1 Mo Mo2 1 0.83412306 2.03337369 2.22844861 1 Zn Zn3 1 -0.28527338 0.00000000 3.77005175 1 [/CIF]
Co2MoZn
Pm
6
monoclinic
m
9,177.510083
false
[CIF] data_La2GeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53487139 _cell_length_b 5.53487139 _cell_length_c 3.50167642 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2GeBr _chemical_formula_sum 'La2 Ge1 Br1' _cell_volume 107.27316136 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 2.76743570 2.76743570 0.00000000 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 0.00000000 2.76743570 1.75083821 1 La La3 1 2.76743570 0.00000000 1.75083821 1 [/CIF]
BrGeLa2
P4/mmm
123
tetragonal
4/mmm
6,661.696004
false
[CIF] data_Sr2AgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85841067 _cell_length_b 5.61299720 _cell_length_c 5.43323759 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.30035762 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2AgGe _chemical_formula_sum 'Sr2 Ag1 Ge1' _cell_volume 117.47381660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98953804 2.80649860 2.90606207 1 Ge Ge1 1 2.59154493 0.00000000 1.13304972 1 Sr Sr2 1 0.05611155 2.80649860 0.40628014 1 Sr Sr3 1 0.68123216 0.00000000 3.69094757 1 [/CIF]
AgGeSr2
Pm
6
monoclinic
m
5,028.642135
false
[CIF] data_TaAlGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70255648 _cell_length_b 6.59108347 _cell_length_c 2.84498175 _cell_angle_alpha 79.84528393 _cell_angle_beta 75.45812036 _cell_angle_gamma 24.69659572 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAlGa _chemical_formula_sum 'Ta1 Al1 Ga1' _cell_volume 50.41088419 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81824628 2.18812743 12.65398043 1 Ga Ga1 1 1.81824628 2.18812743 8.45490588 1 Ta Ta2 1 1.81824628 2.18812743 4.23241977 1 [/CIF]
AlGaTa
Fmm2
42
orthorhombic
mm2
9,145.895682
false
[CIF] data_Tl2CuOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32942830 _cell_length_b 3.87418781 _cell_length_c 5.94325425 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2CuOs _chemical_formula_sum 'Tl2 Cu1 Os1' _cell_volume 76.66102939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.07710848 1 Os Os1 1 1.66471415 1.93709391 4.39747498 1 Tl Tl2 1 0.00000000 0.00000000 5.71294364 1 Tl Tl3 1 1.66471415 1.93709391 1.67060853 1 [/CIF]
CuOsTl2
Pmm2
25
orthorhombic
mm2
14,351.201377
false
[CIF] data_SrMgAl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67664277 _cell_length_b 5.67664277 _cell_length_c 5.67664277 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMgAl4 _chemical_formula_sum 'Sr1 Mg1 Al4' _cell_volume 129.34799411 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.01884652 3.00913868 3.00913868 1 Al Al1 1 3.00913868 3.00913868 5.01884652 1 Al Al2 1 3.00913868 5.01884652 3.00913868 1 Al Al3 1 5.01884652 5.01884652 5.01884652 1 Mg Mg4 1 0.00000000 0.00000000 0.00000000 1 Sr Sr5 1 2.00699630 2.00699630 2.00699630 1 [/CIF]
Al4MgSr
F-43m
216
cubic
-43m
2,822.397311
false
[CIF] data_LaBi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90795720 _cell_length_b 4.90795720 _cell_length_c 4.60978245 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBi2Au _chemical_formula_sum 'La1 Bi2 Au1' _cell_volume 111.04064192 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.45397860 2.45397860 0.00000000 1 Bi Bi1 1 2.45397860 0.00000000 2.30489122 1 Bi Bi2 1 0.00000000 2.45397860 2.30489122 1 La La3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBi2La
P4/mmm
123
tetragonal
4/mmm
11,273.069547
false
[CIF] data_TcHg2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29989455 _cell_length_b 3.29989455 _cell_length_c 8.43218602 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.01003425 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcHg2Br _chemical_formula_sum 'Tc1 Hg2 Br1' _cell_volume 88.68776167 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 2.00861927 -0.00000000 2.28840784 1 Hg Hg2 1 2.00861927 -0.00000000 6.14377818 1 Tc Tc3 1 0.00000000 0.00000000 4.21609301 1 [/CIF]
BrHg2Tc
Cmmm
65
orthorhombic
mmm
10,859.405709
false
[CIF] data_NaLi2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01948527 _cell_length_b 5.01948527 _cell_length_c 5.01948527 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLi2Cr _chemical_formula_sum 'Na1 Li2 Cr1' _cell_volume 89.42574225 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 5.32396811 5.32396811 5.32396811 1 Li Li1 1 1.77465604 1.77465604 1.77465604 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Na Na3 1 3.54931207 3.54931207 3.54931207 1 [/CIF]
CrLi2Na
F-43m
216
cubic
-43m
1,650.17997
false
[CIF] data_BaPd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20233740 _cell_length_b 5.20233740 _cell_length_c 5.20233740 _cell_angle_alpha 100.69135076 _cell_angle_beta 100.69135076 _cell_angle_gamma 128.97368831 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaPd4 _chemical_formula_sum 'Ba1 Pd4' _cell_volume 98.78710023 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 2.05685168 0.49586737 2.24074208 1 Pd Pd2 1 3.81576114 1.26304210 -0.00000000 1 Pd Pd3 1 1.26304210 2.82402641 0.00000000 1 Pd Pd4 1 -0.49586737 2.05685168 2.24074208 1 [/CIF]
BaPd4
I4/m
87
tetragonal
4/m
9,463.736825
false
[CIF] data_CrSbW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19953987 _cell_length_b 5.19953987 _cell_length_c 5.19953987 _cell_angle_alpha 142.96678746 _cell_angle_beta 130.15175202 _cell_angle_gamma 63.69810763 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrSbW2 _chemical_formula_sum 'Cr1 Sb1 W2' _cell_volume 63.92243026 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.39019121 1 Sb Sb1 1 0.00000000 2.19117803 2.13761958 1 W W2 1 -0.00000000 -0.00000000 0.04357016 1 W W3 1 1.65126727 0.00000000 2.26202611 1 [/CIF]
CrSbW2
Imm2
44
orthorhombic
mm2
14,065.106708
false
[CIF] data_ZrMnPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01818911 _cell_length_b 3.01818911 _cell_length_c 7.36563601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMnPt2 _chemical_formula_sum 'Zr1 Mn1 Pt2' _cell_volume 67.09700715 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 1.50909455 1.50909455 1.67316609 1 Pt Pt2 1 1.50909455 1.50909455 5.69246992 1 Zr Zr3 1 0.00000000 0.00000000 3.68281801 1 [/CIF]
MnPt2Zr
P4/mmm
123
tetragonal
4/mmm
13,273.274475
false
[CIF] data_YbGa2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32027609 _cell_length_b 5.32027609 _cell_length_c 6.66196204 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 134.58097248 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbGa2Ni _chemical_formula_sum 'Yb2 Ga4 Ni2' _cell_volume 134.31006336 _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 Yb Yb0 1 2.05394165 -4.18543801 1.66549051 1 Yb Yb1 1 2.05394165 4.18543801 4.99647153 1 Ga Ga2 1 2.05394165 -1.40889003 2.96626365 1 Ga Ga3 1 2.05394165 1.40889003 3.69569839 1 Ga Ga4 1 2.05394165 -1.40889003 0.36471737 1 Ga Ga5 1 2.05394165 1.40889003 6.29724467 1 Ni Ni6 1 2.05394165 2.85056364 1.66549051 1 Ni Ni7 1 2.05394165 -2.85056364 4.99647153 1 [/CIF]
Ga4Ni2Yb2
Cmcm
63
orthorhombic
mmm
9,178.480399
false
[CIF] data_ReMoPPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38482644 _cell_length_b 4.38482644 _cell_length_c 4.38482644 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReMoPPd _chemical_formula_sum 'Re1 Mo1 P1 Pd1' _cell_volume 59.61317136 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 4.65081077 4.65081077 4.65081077 1 Re Re2 1 3.10054051 3.10054051 3.10054051 1 Pd Pd3 1 1.55027026 1.55027026 1.55027026 1 [/CIF]
MoPPdRe
F-43m
216
cubic
-43m
11,686.964814
false
[CIF] data_AlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62743351 _cell_length_b 3.62743351 _cell_length_c 3.62743351 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlPt _chemical_formula_sum 'Al1 Pt1' _cell_volume 33.75074646 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 2.56498283 2.56498283 2.56498283 1 [/CIF]
AlPt
Fm-3m
225
cubic
m-3m
10,925.639899
false
[CIF] data_RuBr2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21213487 _cell_length_b 3.21213487 _cell_length_c 8.20377567 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RuBr2Cl _chemical_formula_sum 'Ru1 Br2 Cl1' _cell_volume 84.64500212 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60606743 1.60606743 5.66857452 1 Br Br1 1 1.60606743 1.60606743 2.53520115 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 0.00000000 0.00000000 4.10188784 1 [/CIF]
Br2ClRu
P4/mmm
123
tetragonal
4/mmm
5,813.328488
false
[CIF] data_SrNi2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54039628 _cell_length_b 4.54039628 _cell_length_c 4.54039628 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNi2Rh _chemical_formula_sum 'Sr1 Ni2 Rh1' _cell_volume 66.18602213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 1.60527250 1.60527250 1.60527250 1 Ni Ni1 1 4.81581750 4.81581750 4.81581750 1 Rh Rh2 1 3.21054500 3.21054500 3.21054500 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ni2RhSr
Fm-3m
225
cubic
m-3m
7,725.202192
false
[CIF] data_YBeTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51031412 _cell_length_b 4.51031412 _cell_length_c 4.51132322 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBeTl2 _chemical_formula_sum 'Y1 Be1 Tl2' _cell_volume 91.77354809 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tl Tl1 1 0.00000000 2.25515706 2.25566161 1 Tl Tl2 1 2.25515706 0.00000000 2.25566161 1 Y Y3 1 2.25515706 2.25515706 0.00000000 1 [/CIF]
BeTl2Y
P4/mmm
123
tetragonal
4/mmm
9,167.888171
false
[CIF] data_MnHg2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94698501 _cell_length_b 4.94698501 _cell_length_c 4.94698501 _cell_angle_alpha 131.70213427 _cell_angle_beta 131.70213427 _cell_angle_gamma 70.69988221 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnHg2Ru _chemical_formula_sum 'Mn1 Hg2 Ru1' _cell_volume 66.10843490 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 -0.00000000 4.03492718 1 Hg Hg1 1 0.00000000 2.02386058 2.01746359 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 2.02386058 0.00000000 2.01746359 1 [/CIF]
Hg2MnRu
I-4m2
119
tetragonal
-42m
13,995.680242
false
[CIF] data_GeMoRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76076805 _cell_length_b 4.76076805 _cell_length_c 4.76076805 _cell_angle_alpha 131.73983655 _cell_angle_beta 131.73983655 _cell_angle_gamma 70.64023843 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeMoRh2 _chemical_formula_sum 'Ge1 Mo1 Rh2' _cell_volume 58.85572747 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 0.00000000 0.00000000 3.88447550 1 Rh Rh2 1 0.00000000 1.94624799 1.94223775 1 Rh Rh3 1 1.94624799 -0.00000000 1.94223775 1 [/CIF]
GeMoRh2
I4/mmm
139
tetragonal
4/mmm
10,563.527445
false
[CIF] data_LaCdTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92731353 _cell_length_b 5.92731353 _cell_length_c 5.92731353 _cell_angle_alpha 144.50185379 _cell_angle_beta 144.50185379 _cell_angle_gamma 51.07750087 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCdTc _chemical_formula_sum 'La1 Cd1 Tc1' _cell_volume 69.84751512 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.31808936 1 La La1 1 0.00000000 0.00000000 3.40543057 1 Tc Tc2 1 0.00000000 -0.00000000 6.97283791 1 [/CIF]
CdLaTc
I4mm
107
tetragonal
4mm
8,326.114745
false
[CIF] data_La2CdTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58702283 _cell_length_b 4.58702283 _cell_length_c 6.54723033 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2CdTe _chemical_formula_sum 'La2 Cd1 Te1' _cell_volume 137.75882279 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 2.29351142 2.29351142 0.00000000 1 La La2 1 0.00000000 0.00000000 3.27361516 1 Te Te3 1 2.29351142 2.29351142 3.27361516 1 [/CIF]
CdLa2Te
P4/mmm
123
tetragonal
4/mmm
6,241.803926
false
[CIF] data_AgSbTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41648612 _cell_length_b 7.41648612 _cell_length_c 7.41648612 _cell_angle_alpha 34.14028585 _cell_angle_beta 34.14028585 _cell_angle_gamma 34.14028585 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSbTe2 _chemical_formula_sum 'Ag1 Sb1 Te2' _cell_volume 114.55791636 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 -0.00000000 -0.00000000 0.00000000 1 Sb Sb1 1 -0.00000000 0.00000000 10.46618058 1 Te Te2 1 -0.00000000 0.00000000 15.62021521 1 Te Te3 1 -0.00000000 -0.00000000 5.31214596 1 [/CIF]
AgSbTe2
R-3m
166
trigonal
-3m
7,027.678154
false
[CIF] data_LiAlIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18430545 _cell_length_b 5.13028500 _cell_length_c 5.36822954 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.98023751 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAlIn2 _chemical_formula_sum 'Li1 Al1 In2' _cell_volume 87.64514297 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.63227038 2.56514250 4.07950235 1 In In1 1 -0.13977058 0.00000000 5.21277711 1 In In2 1 2.38364152 2.56514250 1.43664952 1 Li Li3 1 1.43657179 0.00000000 2.68363017 1 [/CIF]
AlIn2Li
Pm
6
monoclinic
m
4,993.422737
false
[CIF] data_CuReAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25516184 _cell_length_b 4.25516184 _cell_length_c 4.25516184 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuReAu _chemical_formula_sum 'Cu1 Re1 Au1' _cell_volume 54.47951706 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.00885379 3.00885379 3.00885379 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 4.51328068 4.51328068 4.51328068 1 [/CIF]
AuCuRe
F-43m
216
cubic
-43m
13,616.040232
false
[CIF] data_YZn2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78227277 _cell_length_b 4.41725551 _cell_length_c 5.65040105 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.34101459 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZn2Pb _chemical_formula_sum 'Y1 Zn2 Pb1' _cell_volume 92.22136864 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40013690 2.20862776 2.44579667 1 Y Y1 1 -0.00568664 0.00000000 4.46629487 1 Zn Zn2 1 1.95227883 2.20862776 5.50349567 1 Zn Zn3 1 3.08980598 0.00000000 1.38400345 1 [/CIF]
PbYZn2
Pm
6
monoclinic
m
7,686.1516
false
[CIF] data_AsRu2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59248295 _cell_length_b 4.59248295 _cell_length_c 2.89612289 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 103.44733300 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsRu2W _chemical_formula_sum 'As1 Ru2 W1' _cell_volume 59.40722336 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 1.42241785 1.80262375 1.44806144 1 Ru Ru2 1 1.42241785 -1.80262374 1.44806144 1 W W3 1 2.84483570 -0.00000000 0.00000000 1 [/CIF]
AsRu2W
Cmmm
65
orthorhombic
mmm
12,883.031211
false
[CIF] data_Na2AlTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14901962 _cell_length_b 5.14901962 _cell_length_c 5.14901962 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2AlTl _chemical_formula_sum 'Na2 Al1 Tl1' _cell_volume 96.52918579 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.64090669 3.64090669 3.64090669 1 Na Na1 1 1.82045335 1.82045335 1.82045335 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 5.46136004 5.46136004 5.46136004 1 [/CIF]
AlNa2Tl
F-43m
216
cubic
-43m
4,771.036999
false
[CIF] data_MgFeTc3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43669108 _cell_length_b 4.43669108 _cell_length_c 4.43669108 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgFeTc3 _chemical_formula_sum 'Mg1 Fe1 Tc3' _cell_volume 87.33283763 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 2.21834554 0.00000000 2.21834554 1 Tc Tc2 1 2.21834554 2.21834554 0.00000000 1 Tc Tc3 1 0.00000000 2.21834554 2.21834554 1 Fe Fe4 1 2.21834554 2.21834554 2.21834554 1 [/CIF]
FeMgTc3
Pm-3m
221
cubic
m-3m
7,165.747161
false
[CIF] data_BaNa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.30042830 _cell_length_b 7.30042830 _cell_length_c 7.30042830 _cell_angle_alpha 112.63265074 _cell_angle_beta 112.63265074 _cell_angle_gamma 103.31810680 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNa2 _chemical_formula_sum 'Ba2 Na4' _cell_volume 296.96539725 _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 Ba Ba0 1 0.00000000 -0.00000000 6.79311843 1 Ba Ba1 1 0.00000000 0.00000000 2.26437281 1 Na Na2 1 1.13993006 2.90894117 0.00000000 1 Na Na3 1 2.90894117 1.13993006 4.52874562 1 Na Na4 1 5.18880129 1.13993006 -0.00000000 1 Na Na5 1 -1.13993006 2.90894117 4.52874562 1 [/CIF]
Ba2Na4
I4/mcm
140
tetragonal
4/mmm
2,049.987448
false
[CIF] data_SrMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95933906 _cell_length_b 3.95933906 _cell_length_c 4.56186486 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.19663950 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMg _chemical_formula_sum 'Sr1 Mg1' _cell_volume 71.40218988 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 2.72049678 0.00000000 2.28093243 1 [/CIF]
MgSr
Cmmm
65
orthorhombic
mmm
2,602.943066
false
[CIF] data_CdGaCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.75699415 _cell_length_b 8.75699415 _cell_length_c 8.75699415 _cell_angle_alpha 18.95258938 _cell_angle_beta 18.95258938 _cell_angle_gamma 18.95258938 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGaCu2 _chemical_formula_sum 'Cd1 Ga1 Cu2' _cell_volume 61.90570361 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 -0.00000000 0.00000000 12.89593824 1 Cu Cu1 1 -0.00000000 0.00000000 6.59537795 1 Cu Cu2 1 -0.00000000 -0.00000000 19.19649853 1 Ga Ga3 1 -0.00000000 0.00000000 -0.00000000 1 [/CIF]
CdCu2Ga
R-3m
166
trigonal
-3m
8,294.580673
false
[CIF] data_Ga2BiSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.89849141 _cell_length_b 7.89849141 _cell_length_c 12.76251903 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2BiSe4 _chemical_formula_sum 'Ga8 Bi4 Se16' _cell_volume 796.20463785 _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 Bi Bi0 1 0.00000000 0.00000000 11.17973567 1 Bi Bi1 1 0.00000000 0.00000000 1.58278336 1 Bi Bi2 1 3.94924571 3.94924571 4.79847615 1 Bi Bi3 1 3.94924571 3.94924571 7.96404288 1 Ga Ga4 1 3.94924571 0.00000000 9.57188927 1 Ga Ga5 1 0.00000000 3.94924571 9.57188927 1 Ga Ga6 1 3.94924571 0.00000000 0.00000000 1 Ga Ga7 1 0.00000000 3.94924571 0.00000000 1 Ga Ga8 1 3.94924571 0.00000000 3.19062976 1 Ga Ga9 1 0.00000000 3.94924571 3.19062976 1 Ga Ga10 1 3.94924571 0.00000000 6.38125951 1 Ga Ga11 1 0.00000000 3.94924571 6.38125951 1 Se Se12 1 5.23263611 6.54535788 11.17289738 1 Se Se13 1 2.66585530 1.35313353 11.17289738 1 Se Se14 1 6.54535788 2.66585530 11.17289738 1 Se Se15 1 1.35313353 5.23263611 11.17289738 1 Se Se16 1 2.66585530 6.54535788 1.58962165 1 Se Se17 1 5.23263611 1.35313353 1.58962165 1 Se Se18 1 1.35313353 2.66585530 1.58962165 1 Se Se19 1 6.54535788 5.23263611 1.58962165 1 Se Se20 1 5.30237924 6.61510101 4.79163787 1 Se Se21 1 2.59611217 1.28339040 4.79163787 1 Se Se22 1 6.61510101 2.59611217 4.79163787 1 Se Se23 1 1.28339040 5.30237924 4.79163787 1 Se Se24 1 2.59611217 6.61510101 7.97088116 1 Se Se25 1 5.30237924 1.28339040 7.97088116 1 Se Se26 1 1.28339040 2.59611217 7.97088116 1 Se Se27 1 6.61510101 5.30237924 7.97088116 1 [/CIF]
Bi4Ga8Se16
P4/nnc
126
tetragonal
4/mmm
5,541.491498
false
[CIF] data_CdGe4Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44905057 _cell_length_b 5.44905057 _cell_length_c 5.44905057 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGe4Rh _chemical_formula_sum 'Cd1 Ge4 Rh1' _cell_volume 114.40566179 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92653030 1.92653031 1.92653031 1 Ge Ge1 1 4.82476836 2.88135286 2.88135286 1 Ge Ge2 1 2.88135286 2.88135286 4.82476836 1 Ge Ge3 1 2.88135286 4.82476836 2.88135286 1 Ge Ge4 1 4.82476836 4.82476836 4.82476836 1 Rh Rh5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdGe4Rh
F-43m
216
cubic
-43m
7,342.536007
false
[CIF] data_ScTi2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75391898 _cell_length_b 4.54421191 _cell_length_c 5.54598096 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTi2Re _chemical_formula_sum 'Sc1 Ti2 Re1' _cell_volume 69.40457659 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 1.37695949 2.27210595 2.68952951 1 Sc Sc1 1 0.00000000 0.00000000 4.12364903 1 Ti Ti2 1 1.37695949 2.27210595 0.07433317 1 Ti Ti3 1 0.00000000 0.00000000 1.43145972 1 [/CIF]
ReScTi2
Pmm2
25
orthorhombic
mm2
7,821.171453
false
[CIF] data_U2TcPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76242923 _cell_length_b 4.76242923 _cell_length_c 4.76242923 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural U2TcPd _chemical_formula_sum 'U2 Tc1 Pd1' _cell_volume 76.37840874 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.36754600 3.36754600 3.36754600 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 U U2 1 1.68377300 1.68377300 1.68377300 1 U U3 1 5.05131900 5.05131900 5.05131900 1 [/CIF]
PdTcU2
Fm-3m
225
cubic
m-3m
14,813.935027
false
[CIF] data_BaHgMoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19550044 _cell_length_b 5.19550044 _cell_length_c 5.19550044 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHgMoPt _chemical_formula_sum 'Ba1 Hg1 Mo1 Pt1' _cell_volume 99.16699631 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.67377359 3.67377359 3.67377359 1 Hg Hg1 1 1.83688680 1.83688680 1.83688680 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 5.51066039 5.51066039 5.51066039 1 [/CIF]
BaHgMoPt
F-43m
216
cubic
-43m
10,531.874018
false
[CIF] data_Ti4NbRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18530950 _cell_length_b 5.18530950 _cell_length_c 5.18530950 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4NbRe _chemical_formula_sum 'Ti4 Nb1 Re1' _cell_volume 98.58459417 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 5.49985127 5.49985127 5.49985127 1 Ti Ti2 1 4.58338934 2.74974568 4.58338934 1 Ti Ti3 1 2.74974568 4.58338934 4.58338934 1 Ti Ti4 1 2.74974568 2.74974568 2.74974568 1 Ti Ti5 1 4.58338934 4.58338934 2.74974568 1 [/CIF]
NbReTi4
F-43m
216
cubic
-43m
7,926.378072
false
[CIF] data_YCdFeAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85668423 _cell_length_b 4.85668423 _cell_length_c 4.85668423 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCdFeAg _chemical_formula_sum 'Y1 Cd1 Fe1 Ag1' _cell_volume 81.00365285 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 5.15129152 5.15129153 5.15129153 1 Cd Cd1 1 3.43419435 3.43419435 3.43419435 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 1.71709717 1.71709718 1.71709717 1 [/CIF]
AgCdFeY
F-43m
216
cubic
-43m
7,482.954622
false
[CIF] data_Ta2MnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53036468 _cell_length_b 4.53036468 _cell_length_c 4.53036468 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2MnAu _chemical_formula_sum 'Ta2 Mn1 Au1' _cell_volume 65.74829451 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.20345159 3.20345159 3.20345159 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 4.80517738 4.80517739 4.80517739 1 Ta Ta3 1 1.60172580 1.60172580 1.60172580 1 [/CIF]
AuMnTa2
Fm-3m
225
cubic
m-3m
15,502.143557
false
[CIF] data_LiTcSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52288449 _cell_length_b 5.24953477 _cell_length_c 5.24953477 _cell_angle_alpha 37.19497267 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTcSb2 _chemical_formula_sum 'Li1 Tc1 Sb2' _cell_volume 75.34846826 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.30996918 1 Sb Sb1 1 2.26144224 -0.00000000 8.90833414 1 Sb Sb2 1 0.00000000 -0.00000000 6.00091065 1 Tc Tc3 1 2.26144224 -0.00000000 1.80043234 1 [/CIF]
LiSb2Tc
Amm2
38
orthorhombic
mm2
7,699.525214
false
[CIF] data_Zn2InB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19709302 _cell_length_b 4.19709302 _cell_length_c 3.96432082 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.69369379 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2InB _chemical_formula_sum 'Zn2 In1 B1' _cell_volume 65.74910275 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 2.41653506 0.00000000 0.00000000 1 Zn Zn2 1 1.20826753 -1.71580506 1.98216041 1 Zn Zn3 1 1.20826753 1.71580506 1.98216041 1 [/CIF]
BInZn2
Cmmm
65
orthorhombic
mmm
6,475.281531
false
[CIF] data_Sr4BW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65338183 _cell_length_b 6.65338183 _cell_length_c 6.65338183 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4BW _chemical_formula_sum 'Sr4 B1 W1' _cell_volume 208.26310821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 5.87912241 5.87912241 3.53018041 1 Sr Sr2 1 5.87912241 3.53018041 5.87912241 1 Sr Sr3 1 3.53018041 5.87912241 5.87912241 1 Sr Sr4 1 3.53018041 3.53018041 3.53018041 1 W W5 1 7.05697712 7.05697712 7.05697712 1 [/CIF]
BSr4W
F-43m
216
cubic
-43m
4,346.479459
false
[CIF] data_BeC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69604155 _cell_length_b 3.69604155 _cell_length_c 3.69604155 _cell_angle_alpha 140.99625579 _cell_angle_beta 140.99625579 _cell_angle_gamma 56.34370401 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeC2 _chemical_formula_sum 'Be1 C2' _cell_volume 19.84179621 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 C C1 1 0.00000000 0.00000000 4.74246731 1 C C2 1 -0.00000000 0.00000000 1.77391635 1 [/CIF]
C2Be
I4/mmm
139
tetragonal
4/mmm
2,764.545752
false
[CIF] data_LiScTiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79421035 _cell_length_b 4.79421035 _cell_length_c 4.79421035 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiScTiHg _chemical_formula_sum 'Li1 Sc1 Ti1 Hg1' _cell_volume 77.91772397 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 3.39001865 3.39001865 3.39001865 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 5.08502798 5.08502798 5.08502798 1 Ti Ti3 1 1.69500933 1.69500933 1.69500932 1 [/CIF]
HgLiScTi
F-43m
216
cubic
-43m
6,400.975019
false
[CIF] data_TiZnCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78490755 _cell_length_b 4.78490755 _cell_length_c 2.60225524 _cell_angle_alpha 102.04889116 _cell_angle_beta 102.04889116 _cell_angle_gamma 112.61634963 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiZnCo2 _chemical_formula_sum 'Ti1 Zn1 Co2' _cell_volume 50.95530301 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.83753431 -1.99060115 1.20548912 1 Co Co1 1 0.83753431 1.99060115 1.20548912 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 2.65431129 0.00000000 0.00000000 1 [/CIF]
Co2TiZn
C2/m
12
monoclinic
2/m
7,531.55786
false
[CIF] data_SrTe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12366489 _cell_length_b 5.12366489 _cell_length_c 5.12366489 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTe2W _chemical_formula_sum 'Sr1 Te2 W1' _cell_volume 95.11021306 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 0.00000000 0.00000000 0.00000000 1 Te Te1 1 5.43446728 5.43446728 5.43446729 1 Te Te2 1 1.81148910 1.81148909 1.81148910 1 W W3 1 3.62297819 3.62297819 3.62297819 1 [/CIF]
SrTe2W
Fm-3m
225
cubic
m-3m
9,195.011521
false
[CIF] data_SrHfZnSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19017983 _cell_length_b 5.19017983 _cell_length_c 5.19017983 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHfZnSn _chemical_formula_sum 'Sr1 Hf1 Zn1 Sn1' _cell_volume 98.86264323 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 5.50501703 5.50501703 5.50501703 1 Sn Sn1 1 3.67001135 3.67001135 3.67001135 1 Sr Sr2 1 1.83500568 1.83500568 1.83500568 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfSnSrZn
F-43m
216
cubic
-43m
7,561.750964
false
[CIF] data_BaTiOsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80279713 _cell_length_b 4.80279713 _cell_length_c 4.80279713 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTiOsW _chemical_formula_sum 'Ba1 Ti1 Os1 W1' _cell_volume 78.33714322 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.09413563 5.09413563 5.09413563 1 Os Os1 1 3.39609042 3.39609042 3.39609042 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.69804521 1.69804521 1.69804521 1 [/CIF]
BaOsTiW
F-43m
216
cubic
-43m
11,854.909208
false
[CIF] data_YAlCrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69070521 _cell_length_b 4.69070521 _cell_length_c 4.69070521 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAlCrRh _chemical_formula_sum 'Y1 Al1 Cr1 Rh1' _cell_volume 72.97925448 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 1.65841473 1.65841473 1.65841473 1 Cr Cr1 1 4.97524419 4.97524419 4.97524419 1 Rh Rh2 1 3.31682946 3.31682946 3.31682946 1 Al Al3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AlCrRhY
F-43m
216
cubic
-43m
6,161.41803
false
[CIF] data_SrTiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94568867 _cell_length_b 3.92337858 _cell_length_c 3.97537624 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.15284457 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTiO3 _chemical_formula_sum 'Sr1 Ti1 O3' _cell_volume 61.54031610 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 3.91638529 1.96168929 0.05827169 1 Ti Ti1 1 1.92302818 0.00000000 2.06951654 1 O O2 1 0.01967762 0.00000000 1.96914425 1 O O3 1 2.00014080 1.96168929 1.94120661 1 O O4 1 1.97838802 0.00000000 3.94001727 1 [/CIF]
O3SrTi
Pm
6
monoclinic
m
4,950.971957
false
[CIF] data_TaSiGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74738379 _cell_length_b 3.74738379 _cell_length_c 4.82513647 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSiGe2 _chemical_formula_sum 'Ta1 Si1 Ge2' _cell_volume 67.75883786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87369190 0.00000000 2.41256824 1 Ge Ge1 1 0.00000000 1.87369190 2.41256824 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.87369190 1.87369190 0.00000000 1 [/CIF]
Ge2SiTa
P4/mmm
123
tetragonal
4/mmm
8,683.018008
false
[CIF] data_TiAl2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80503436 _cell_length_b 2.80503436 _cell_length_c 9.17632131 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAl2V _chemical_formula_sum 'Ti1 Al2 V1' _cell_volume 62.52815516 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.32734440 1 Al Al1 1 0.00000001 1.61948734 6.95499636 1 Ti Ti2 1 1.40251720 0.80974366 0.07936123 1 V V3 1 0.00000000 0.00000000 4.81571443 1 [/CIF]
Al2TiV
P3m1
156
trigonal
3m
4,057.015452
false
[CIF] data_YZnFeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54925180 _cell_length_b 4.54925180 _cell_length_c 4.54925180 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZnFeRu _chemical_formula_sum 'Y1 Zn1 Fe1 Ru1' _cell_volume 66.57404268 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 4.82521020 4.82521020 4.82521020 1 Y Y2 1 1.60840340 1.60840340 1.60840340 1 Zn Zn3 1 3.21680680 3.21680680 3.21680680 1 [/CIF]
FeRuYZn
F-43m
216
cubic
-43m
7,762.202026
false
[CIF] data_PrSnPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47150163 _cell_length_b 5.47150163 _cell_length_c 5.47150163 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrSnPb2 _chemical_formula_sum 'Pr1 Sn1 Pb2' _cell_volume 115.82561104 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93446795 1.93446795 1.93446795 1 Pb Pb1 1 5.80340385 5.80340385 5.80340385 1 Pr Pr2 1 3.86893590 3.86893590 3.86893590 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pb2PrSn
Fm-3m
225
cubic
m-3m
9,663.084264
false
[CIF] data_CrCuBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83143600 _cell_length_b 4.83143600 _cell_length_c 3.48070519 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCuBr2 _chemical_formula_sum 'Cr1 Cu1 Br2' _cell_volume 81.24931392 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 2.41571800 0.00000000 1.74035260 1 Br Br1 1 0.00000000 2.41571800 1.74035260 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Cu Cu3 1 2.41571800 2.41571800 0.00000000 1 [/CIF]
Br2CrCu
P4/mmm
123
tetragonal
4/mmm
5,627.503103
false
[CIF] data_NaCoMoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41817300 _cell_length_b 4.41817300 _cell_length_c 4.41817300 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCoMoPd _chemical_formula_sum 'Na1 Co1 Mo1 Pd1' _cell_volume 60.98361354 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.68618014 4.68618014 4.68618014 1 Mo Mo1 1 3.12412009 3.12412009 3.12412009 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 1.56206005 1.56206005 1.56206005 1 [/CIF]
CoMoNaPd
F-43m
216
cubic
-43m
7,741.361188
false
[CIF] data_BePPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85821540 _cell_length_b 2.85821540 _cell_length_c 5.40610147 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BePPd _chemical_formula_sum 'Be1 P1 Pd1' _cell_volume 38.24764814 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.02770449 1 P P1 1 0.00000000 1.65019143 1.70273626 1 Pd Pd2 1 1.42910770 0.82509572 3.67566072 1 [/CIF]
BePPd
P3m1
156
trigonal
3m
6,356.280754
false
[CIF] data_SrBeSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92855942 _cell_length_b 4.92855942 _cell_length_c 3.69733169 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBeSe2 _chemical_formula_sum 'Sr1 Be1 Se2' _cell_volume 89.81076714 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 0.00000000 2.46427971 1.84866584 1 Se Se2 1 2.46427971 0.00000000 1.84866584 1 Sr Sr3 1 2.46427971 2.46427971 0.00000000 1 [/CIF]
BeSe2Sr
P4/mmm
123
tetragonal
4/mmm
4,706.907227
false
[CIF] data_KMn2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74308240 _cell_length_b 4.74308240 _cell_length_c 4.43137238 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMn2Bi _chemical_formula_sum 'K1 Mn2 Bi1' _cell_volume 99.69183378 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.37154120 2.37154120 0.00000000 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 0.00000000 2.37154120 2.21568619 1 Mn Mn3 1 2.37154120 0.00000000 2.21568619 1 [/CIF]
BiKMn2
P4/mmm
123
tetragonal
4/mmm
5,962.4245
false
[CIF] data_LaNi2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93650775 _cell_length_b 5.93650775 _cell_length_c 5.93650775 _cell_angle_alpha 41.60381842 _cell_angle_beta 41.60381842 _cell_angle_gamma 41.60381842 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNi2Sb _chemical_formula_sum 'La1 Ni2 Sb1' _cell_volume 83.36756802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.27141641 1 Ni Ni1 1 0.00000000 -0.00000000 0.83658654 1 Ni Ni2 1 -0.00000000 0.00000000 11.91880508 1 Sb Sb3 1 0.00000000 0.00000000 7.44030076 1 [/CIF]
LaNi2Sb
R3m
160
trigonal
3m
7,533.391927
false
[CIF] data_MgHg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51103400 _cell_length_b 5.21612900 _cell_length_c 5.31584600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgHg3 _chemical_formula_sum 'Mg1 Hg3' _cell_volume 97.35443696 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78323775 1 Hg Hg1 1 1.75551700 2.60806450 2.59825794 1 Hg Hg2 1 0.00000000 2.60806450 0.03819435 1 Hg Hg3 1 1.75551700 0.00000000 4.44004442 1 [/CIF]
Hg3Mg
Pmm2
25
orthorhombic
mm2
10,678.732563
false
[CIF] data_LiRe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78986010 _cell_length_b 2.78986010 _cell_length_c 10.15529105 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.96372767 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiRe2Br _chemical_formula_sum 'Li1 Re2 Br1' _cell_volume 71.06428683 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47914944 0.00000000 4.50177715 1 Li Li1 1 0.00000000 0.00000000 2.50200435 1 Re Re2 1 1.47914944 0.00000000 0.09798048 1 Re Re3 1 0.00000000 0.00000000 8.13117459 1 [/CIF]
BrLiRe2
Cmm2
35
orthorhombic
mm2
10,731.375001
false
[CIF] data_KCr5S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.19665881 _cell_length_b 9.19665881 _cell_length_c 8.71748219 _cell_angle_alpha 105.46881792 _cell_angle_beta 105.46881792 _cell_angle_gamma 21.96328909 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCr5S8 _chemical_formula_sum 'K1 Cr5 S8' _cell_volume 265.39098393 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 13.97749271 0.00000000 1.39251844 1 Cr Cr2 1 1.73783688 -0.00000000 3.95169956 1 Cr Cr3 1 13.95022312 -0.00000000 4.43787544 1 Cr Cr4 1 7.84403000 0.00000000 4.19478750 1 Cr Cr5 1 1.71056729 0.00000000 6.99705656 1 S S6 1 3.91706626 0.00000000 2.89415169 1 S S7 1 11.77099374 -0.00000000 5.49542331 1 S S8 1 5.89393247 0.00000000 0.12337709 1 S S9 1 9.79412753 -0.00000000 8.26619791 1 S S10 1 5.91863856 0.00000000 5.65528666 1 S S11 1 9.76942144 -0.00000000 2.73428834 1 S S12 1 -0.13328430 0.00000000 5.42297094 1 S S13 1 15.82134430 -0.00000000 2.96660406 1 [/CIF]
Cr5KS8
C2/m
12
monoclinic
2/m
3,476.3559
false
[CIF] data_TaIn2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07890368 _cell_length_b 5.07795203 _cell_length_c 5.46391143 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaIn2Cl _chemical_formula_sum 'Ta1 In2 Cl1' _cell_volume 85.42566087 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 1.53945184 2.53897601 1.38135855 1 In In2 1 1.53945184 2.53897601 4.08255288 1 Ta Ta3 1 0.00000000 0.00000000 2.73195571 1 [/CIF]
ClIn2Ta
Pmmm
47
orthorhombic
mmm
8,670.254672
false
[CIF] data_ZrTc2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27219211 _cell_length_b 3.27219211 _cell_length_c 6.09069320 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTc2Ge _chemical_formula_sum 'Zr1 Tc2 Ge1' _cell_volume 65.21452120 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 1.63609606 1.63609606 1.37801197 1 Tc Tc2 1 1.63609606 1.63609606 4.71268123 1 Zr Zr3 1 0.00000000 0.00000000 3.04534660 1 [/CIF]
GeTc2Zr
P4/mmm
123
tetragonal
4/mmm
9,209.264757
false
[CIF] data_YTlP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86568851 _cell_length_b 4.86568851 _cell_length_c 4.86568851 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTlP _chemical_formula_sum 'Y1 Tl1 P1' _cell_volume 81.45503054 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 0.00000000 1 Tl Tl1 1 1.72028067 1.72028067 1.72028067 1 Y Y2 1 5.16084201 5.16084201 5.16084201 1 [/CIF]
PTlY
F-43m
216
cubic
-43m
6,610.411041
false
[CIF] data_TlSeF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55594401 _cell_length_b 4.55594401 _cell_length_c 4.55594401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSeF3 _chemical_formula_sum 'Tl1 Se1 F3' _cell_volume 94.56602508 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy F F0 1 0.00000000 2.27797200 2.27797200 1 F F1 1 2.27797200 0.00000000 2.27797200 1 F F2 1 2.27797200 2.27797200 0.00000000 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 Tl Tl4 1 2.27797200 2.27797200 2.27797200 1 [/CIF]
F3SeTl
Pm-3m
221
cubic
m-3m
5,976.199069
false
[CIF] data_NbCrCuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37795125 _cell_length_b 4.37795125 _cell_length_c 4.37795125 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCrCuSe _chemical_formula_sum 'Nb1 Cr1 Cu1 Se1' _cell_volume 59.33319918 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 1.54783951 1.54783951 1.54783951 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 4.64351852 4.64351852 4.64351852 1 Cu Cu3 1 3.09567902 3.09567902 3.09567902 1 [/CIF]
CrCuNbSe
F-43m
216
cubic
-43m
8,043.608228
false
[CIF] data_HoTaW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72120490 _cell_length_b 4.72120490 _cell_length_c 4.72120490 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoTaW2 _chemical_formula_sum 'Ho1 Ta1 W2' _cell_volume 74.41209806 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ho Ho0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 3.33839600 3.33839600 3.33839600 1 W W2 1 1.66919800 1.66919800 1.66919800 1 W W3 1 5.00759400 5.00759400 5.00759400 1 [/CIF]
HoTaW2
Fm-3m
225
cubic
m-3m
15,923.368623
false
[CIF] data_Na2RuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.35039829 _cell_length_b 10.35039829 _cell_length_c 10.35039829 _cell_angle_alpha 15.18821948 _cell_angle_beta 15.18821948 _cell_angle_gamma 15.18821948 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2RuRh _chemical_formula_sum 'Na2 Ru1 Rh1' _cell_volume 66.29934817 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 7.64662754 1 Na Na1 1 -0.00000000 0.00000000 23.04090229 1 Rh Rh2 1 0.00000000 0.00000000 15.34376492 1 Ru Ru3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Na2RhRu
R-3m
166
trigonal
-3m
6,260.394981
false
[CIF] data_HfAg2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45245455 _cell_length_b 3.45245455 _cell_length_c 5.95974618 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAg2Rh _chemical_formula_sum 'Hf1 Ag2 Rh1' _cell_volume 71.03685143 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72622728 1.72622728 0.03420221 1 Ag Ag1 1 0.00000000 0.00000000 1.42337363 1 Hf Hf2 1 1.72622728 1.72622728 3.13822361 1 Rh Rh3 1 0.00000000 0.00000000 4.34381983 1 [/CIF]
Ag2HfRh
P4mm
99
tetragonal
4mm
11,620.82672
false
[CIF] data_MgMn2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60468355 _cell_length_b 4.60468355 _cell_length_c 4.60468355 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMn2Cl _chemical_formula_sum 'Mg1 Mn2 Cl1' _cell_volume 69.03739072 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.25600296 3.25600296 3.25600296 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 4.88400444 4.88400444 4.88400444 1 Mn Mn3 1 1.62800148 1.62800148 1.62800148 1 [/CIF]
ClMgMn2
Fm-3m
225
cubic
m-3m
4,080.166277
false
[CIF] data_NaIrPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94644205 _cell_length_b 4.94644205 _cell_length_c 4.94644205 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaIrPb2 _chemical_formula_sum 'Na1 Ir1 Pb2' _cell_volume 85.57832432 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.49766272 3.49766272 3.49766272 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 1.74883136 1.74883136 1.74883136 1 Pb Pb3 1 5.24649407 5.24649407 5.24649407 1 [/CIF]
IrNaPb2
Fm-3m
225
cubic
m-3m
12,216.722462
false
[CIF] data_K2BeHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57718475 _cell_length_b 6.44665966 _cell_length_c 6.44665966 _cell_angle_alpha 49.02028078 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2BeHg _chemical_formula_sum 'K2 Be1 Hg1' _cell_volume 143.60890638 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.01668058 1 Hg Hg1 1 2.28859237 -0.00000000 8.49370780 1 K K2 1 0.00000000 0.00000000 1.10073641 1 K K3 1 2.28859237 0.00000000 4.78536546 1 [/CIF]
BeHgK2
Amm2
38
orthorhombic
mm2
3,327.802766
false
[CIF] data_SrS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00561007 _cell_length_b 5.39625581 _cell_length_c 5.39625581 _cell_angle_alpha 97.12242271 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrS3 _chemical_formula_sum 'Sr2 S6' _cell_volume 202.42622921 _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 S S0 1 0.00000000 0.00000000 3.31259465 1 S S1 1 0.98625105 -1.33877794 4.57125625 1 S S2 1 2.51655399 2.70659644 4.57125625 1 S S3 1 3.50280503 -0.00000000 6.88394214 1 S S4 1 4.48905608 -2.70659644 4.57125625 1 S S5 1 6.01935902 1.33877794 4.57125625 1 Sr Sr6 1 0.00000000 -0.00000000 0.00103862 1 Sr Sr7 1 3.50280503 0.00000000 3.57238611 1 [/CIF]
S6Sr2
Aea2
41
orthorhombic
mm2
3,015.735557
false
[CIF] data_BeCdAgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90413144 _cell_length_b 4.90413144 _cell_length_c 4.90413144 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCdAgPb _chemical_formula_sum 'Be1 Cd1 Ag1 Pb1' _cell_volume 83.40100961 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73387230 1.73387230 1.73387230 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Cd Cd2 1 3.46774460 3.46774460 3.46774460 1 Pb Pb3 1 5.20161690 5.20161690 5.20161690 1 [/CIF]
AgBeCdPb
F-43m
216
cubic
-43m
8,690.674075
false
[CIF] data_CdCo2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89692176 _cell_length_b 2.89692176 _cell_length_c 7.50237151 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdCo2As _chemical_formula_sum 'Cd1 Co2 As1' _cell_volume 62.96106971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 3.12710316 1 Cd Cd1 1 1.44846088 1.44846088 6.02958554 1 Co Co2 1 0.00000000 0.00000000 0.36519189 1 Co Co3 1 1.44846088 1.44846088 1.73167669 1 [/CIF]
AsCdCo2
P4mm
99
tetragonal
4mm
8,049.336651
false
[CIF] data_KSrCa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.53581082 _cell_length_b 6.53581082 _cell_length_c 6.53581082 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrCa _chemical_formula_sum 'K1 Sr1 Ca1' _cell_volume 197.41648760 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.31075807 2.31075807 2.31075807 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 6.93227422 6.93227423 6.93227422 1 [/CIF]
CaKSr
F-43m
216
cubic
-43m
1,402.981968
false
[CIF] data_LiHfHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82284227 _cell_length_b 4.82284227 _cell_length_c 4.82284227 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHfHg2 _chemical_formula_sum 'Li1 Hf1 Hg2' _cell_volume 79.32209557 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.41026448 3.41026448 3.41026448 1 Hg Hg1 1 5.11539671 5.11539671 5.11539671 1 Hg Hg2 1 1.70513224 1.70513224 1.70513224 1 Li Li3 1 -0.00000000 0.00000000 0.00000000 1 [/CIF]
HfHg2Li
Fm-3m
225
cubic
m-3m
12,280.804849
false
[CIF] data_CaHgB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49371149 _cell_length_b 5.49371149 _cell_length_c 5.49371149 _cell_angle_alpha 40.98400016 _cell_angle_beta 40.98400016 _cell_angle_gamma 40.98400016 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHgB2 _chemical_formula_sum 'Ca1 Hg1 B2' _cell_volume 64.38311682 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.26060774 1 B B1 1 -0.00000000 0.00000000 11.81395694 1 Ca Ca2 1 -0.00000000 0.00000000 -0.00000000 1 Hg Hg3 1 -0.00000000 0.00000000 7.53728234 1 [/CIF]
B2CaHg
R-3m
166
trigonal
-3m
6,764.623801
false
[CIF] data_BaCdGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48237961 _cell_length_b 5.48237961 _cell_length_c 5.48237961 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCdGa _chemical_formula_sum 'Ba1 Cd1 Ga1' _cell_volume 116.51780997 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93831390 1.93831390 1.93831390 1 Cd Cd1 1 3.87662780 3.87662780 3.87662780 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCdGa
F-43m
216
cubic
-43m
4,552.75868
false
[CIF] data_TcNiOsPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31174305 _cell_length_b 4.31174305 _cell_length_c 4.31174305 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcNiOsPt _chemical_formula_sum 'Tc1 Ni1 Os1 Pt1' _cell_volume 56.68179806 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 4.57329413 4.57329413 4.57329413 1 Pt Pt2 1 3.04886275 3.04886275 3.04886275 1 Tc Tc3 1 1.52443138 1.52443138 1.52443138 1 [/CIF]
NiOsPtTc
F-43m
216
cubic
-43m
15,905.092525
false
[CIF] data_CuGeAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59082590 _cell_length_b 4.59082590 _cell_length_c 4.59082590 _cell_angle_alpha 121.64397450 _cell_angle_beta 121.64397450 _cell_angle_gamma 87.17538279 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuGeAu2 _chemical_formula_sum 'Cu1 Ge1 Au2' _cell_volume 66.62789185 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 2.23814074 1.66261349 1 Au Au1 1 2.23814074 -0.00000000 1.66261349 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Ge Ge3 1 0.00000000 0.00000000 3.32522698 1 [/CIF]
Au2CuGe
I4/mmm
139
tetragonal
4/mmm
13,211.937436
false
[CIF] data_KTaAgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71744940 _cell_length_b 4.71744940 _cell_length_c 4.71744940 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTaAgOs _chemical_formula_sum 'K1 Ta1 Ag1 Os1' _cell_volume 74.23466510 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.33574046 3.33574046 3.33574046 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 5.00361069 5.00361069 5.00361069 1 Ta Ta3 1 1.66787023 1.66787023 1.66787023 1 [/CIF]
AgKOsTa
F-43m
216
cubic
-43m
11,590.258863
false
[CIF] data_AlVCuIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24954558 _cell_length_b 4.24954558 _cell_length_c 4.24954558 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlVCuIr _chemical_formula_sum 'Al1 V1 Cu1 Ir1' _cell_volume 54.26408433 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 4.50732375 4.50732375 4.50732375 1 Ir Ir2 1 1.50244125 1.50244125 1.50244125 1 V V3 1 3.00488250 3.00488250 3.00488250 1 [/CIF]
AlCuIrV
F-43m
216
cubic
-43m
10,211.14997
false
[CIF] data_ZrInRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08476108 _cell_length_b 3.08476108 _cell_length_c 7.61335129 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.12324807 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrInRh2 _chemical_formula_sum 'Zr1 In1 Rh2' _cell_volume 72.43283299 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15976995 0.00000000 1.64597868 1 Rh Rh1 1 0.00000000 0.00000000 7.57125007 1 Rh Rh2 1 2.15976995 0.00000000 5.73583879 1 Zr Zr3 1 0.00000000 0.00000000 4.08031068 1 [/CIF]
InRh2Zr
Cmm2
35
orthorhombic
mm2
9,441.823106
false
[CIF] data_TaTlSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45326515 _cell_length_b 3.45326515 _cell_length_c 6.14654885 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTlSi2 _chemical_formula_sum 'Ta1 Tl1 Si2' _cell_volume 73.29784210 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 0.00000000 0.22534711 1 Si Si1 1 1.72663258 1.72663258 1.61992037 1 Ta Ta2 1 0.00000000 0.00000000 2.69033484 1 Tl Tl3 1 1.72663258 1.72663258 4.68422089 1 [/CIF]
Si2TaTl
P4mm
99
tetragonal
4mm
10,002.090059
false
[CIF] data_Th2CuNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95672960 _cell_length_b 4.95672960 _cell_length_c 4.95672960 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2CuNi _chemical_formula_sum 'Th2 Cu1 Ni1' _cell_volume 86.11338978 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.50493711 3.50493711 3.50493711 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Th Th2 1 1.75246856 1.75246856 1.75246856 1 Th Th3 1 5.25740567 5.25740567 5.25740567 1 [/CIF]
CuNiTh2
Fm-3m
225
cubic
m-3m
11,306.021385
false