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_InTe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16465666 _cell_length_b 5.16465666 _cell_length_c 3.70692208 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 98.72056994 _symmetry_Int_Tables_number 1 _chemical_formula_structural InTe2Pd _chemical_formula_sum 'In1 Te2 Pd1' _cell_volume 97.73417885 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.36374272 -0.00000000 0.00000000 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.68187136 1.95952248 1.85346104 1 Te Te3 1 1.68187136 -1.95952247 1.85346104 1 [/CIF]
InPdTe2
Cmmm
65
orthorhombic
mmm
8,094.854033
false
[CIF] data_LaTiNb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60694136 _cell_length_b 5.60694136 _cell_length_c 5.60694136 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTiNb4 _chemical_formula_sum 'La1 Ti1 Nb4' _cell_volume 124.64160859 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98235313 1.98235313 1.98235313 1 Nb Nb1 1 2.97124565 2.97124565 4.95816687 1 Nb Nb2 1 2.97124565 4.95816687 2.97124565 1 Nb Nb3 1 4.95816687 2.97124565 2.97124565 1 Nb Nb4 1 4.95816687 4.95816687 4.95816687 1 Ti Ti5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaNb4Ti
F-43m
216
cubic
-43m
7,439.26276
false
[CIF] data_SnGeMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55493597 _cell_length_b 4.55493597 _cell_length_c 3.25870229 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnGeMo2 _chemical_formula_sum 'Sn1 Ge1 Mo2' _cell_volume 67.60973573 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.27746798 1.62935115 1 Mo Mo2 1 2.27746798 0.00000000 1.62935115 1 Sn Sn3 1 2.27746798 2.27746798 0.00000000 1 [/CIF]
GeMo2Sn
P4/mmm
123
tetragonal
4/mmm
9,413.635378
false
[CIF] data_AlReP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34432319 _cell_length_b 4.34432319 _cell_length_c 5.90047197 _cell_angle_alpha 112.48203545 _cell_angle_beta 112.48203545 _cell_angle_gamma 40.45816064 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlReP2 _chemical_formula_sum 'Al1 Re1 P2' _cell_volume 65.98809315 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.37864796 -0.00000000 4.18061116 1 P P1 1 5.54513657 0.00000000 5.36373468 1 P P2 1 5.76788052 -0.00000000 2.05854941 1 Re Re3 1 3.43584001 0.00000000 1.86775351 1 [/CIF]
AlP2Re
Cm
8
monoclinic
m
6,923.585131
false
[CIF] data_KGd2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61337384 _cell_length_b 5.61337384 _cell_length_c 5.61337384 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGd2Pb _chemical_formula_sum 'K1 Gd2 Pb1' _cell_volume 125.07108068 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Gd Gd0 1 5.95388207 5.95388207 5.95388207 1 Gd Gd1 1 1.98462736 1.98462736 1.98462736 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 3.96925471 3.96925471 3.96925471 1 [/CIF]
Gd2KPb
Fm-3m
225
cubic
m-3m
7,445.585987
false
[CIF] data_LiMnPtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23188237 _cell_length_b 4.23188237 _cell_length_c 4.23188237 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMnPtRh _chemical_formula_sum 'Li1 Mn1 Pt1 Rh1' _cell_volume 53.59024767 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.48858908 4.48858908 4.48858908 1 Pt Pt2 1 1.49619636 1.49619636 1.49619636 1 Rh Rh3 1 2.99239272 2.99239272 2.99239272 1 [/CIF]
LiMnPtRh
F-43m
216
cubic
-43m
11,150.830679
false
[CIF] data_CaTi2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73974125 _cell_length_b 4.73974125 _cell_length_c 4.73974125 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTi2Mo _chemical_formula_sum 'Ca1 Ti2 Mo1' _cell_volume 75.29201211 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 3.35150318 3.35150318 3.35150318 1 Ti Ti2 1 1.67575159 1.67575159 1.67575159 1 Ti Ti3 1 5.02725477 5.02725477 5.02725477 1 [/CIF]
CaMoTi2
Fm-3m
225
cubic
m-3m
5,111.650786
false
[CIF] data_TlCoNiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35938622 _cell_length_b 4.35938622 _cell_length_c 4.35938622 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCoNiOs _chemical_formula_sum 'Tl1 Co1 Ni1 Os1' _cell_volume 58.58157506 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Ni Ni1 1 4.62382734 4.62382734 4.62382734 1 Os Os2 1 3.08255156 3.08255156 3.08255156 1 Tl Tl3 1 1.54127578 1.54127578 1.54127578 1 [/CIF]
CoNiOsTl
F-43m
216
cubic
-43m
14,519.827373
false
[CIF] data_K2NbZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83302708 _cell_length_b 5.83302708 _cell_length_c 5.83302708 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2NbZn _chemical_formula_sum 'K2 Nb1 Zn1' _cell_volume 140.33531673 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 2.06228650 2.06228650 2.06228650 1 K K1 1 6.18685950 6.18685950 6.18685950 1 Nb Nb2 1 4.12457300 4.12457300 4.12457300 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2NbZn
Fm-3m
225
cubic
m-3m
2,798.220975
false
[CIF] data_BeAg2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99267172 _cell_length_b 2.99267172 _cell_length_c 8.74092775 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.57299518 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAg2Te _chemical_formula_sum 'Be1 Ag2 Te1' _cell_volume 77.60166767 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97177191 0.00000000 7.23698164 1 Ag Ag1 1 1.97177191 0.00000000 1.50394611 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 4.37046387 1 [/CIF]
Ag2BeTe
Cmmm
65
orthorhombic
mmm
7,539.639328
false
[CIF] data_CaCrPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15704451 _cell_length_b 5.15704451 _cell_length_c 5.15704451 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCrPb2 _chemical_formula_sum 'Ca1 Cr1 Pb2' _cell_volume 96.98121981 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 3.64658115 3.64658115 3.64658115 1 Pb Pb2 1 1.82329057 1.82329057 1.82329057 1 Pb Pb3 1 5.46987172 5.46987172 5.46987172 1 [/CIF]
CaCrPb2
Fm-3m
225
cubic
m-3m
8,671.988566
false
[CIF] data_B4RhPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05326610 _cell_length_b 11.64999760 _cell_length_c 3.80576101 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B4RhPb _chemical_formula_sum 'B16 Rh4 Pb4' _cell_volume 268.38430455 _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 B B0 1 1.74717260 7.95943820 0.00000000 1 B B1 1 4.30609350 3.69055940 0.00000000 1 B B2 1 1.27946045 2.13443940 0.00000000 1 B B3 1 4.77380565 9.51555820 0.00000000 1 B B4 1 2.17744638 6.17573759 0.00000000 1 B B5 1 3.87581972 5.47426001 0.00000000 1 B B6 1 0.84918667 0.35073879 0.00000000 1 B B7 1 5.20407943 11.29925881 0.00000000 1 B B8 1 2.36583673 11.11304397 0.00000000 1 B B9 1 3.68742937 0.53695363 0.00000000 1 B B10 1 0.66079632 5.28804517 0.00000000 1 B B11 1 5.39246978 6.36195243 0.00000000 1 B B12 1 2.87642579 9.42319364 0.00000000 1 B B13 1 3.17684031 2.22680396 0.00000000 1 B B14 1 0.15020726 3.59819484 0.00000000 1 B B15 1 5.90305884 8.05180276 0.00000000 1 Pb Pb16 1 0.77024851 9.89735495 1.90288050 1 Pb Pb17 1 5.28301759 1.75264265 1.90288050 1 Pb Pb18 1 2.25638454 4.07235615 1.90288050 1 Pb Pb19 1 3.79688156 7.57764145 1.90288050 1 Rh Rh20 1 0.84692360 6.93440267 1.90288050 1 Rh Rh21 1 5.20634250 4.71559493 1.90288050 1 Rh Rh22 1 2.17970945 1.10940387 1.90288050 1 Rh Rh23 1 3.87355665 10.54059373 1.90288050 1 [/CIF]
B16Pb4Rh4
Pbam
55
orthorhombic
mmm
8,744.932382
false
[CIF] data_KZnSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58362543 _cell_length_b 6.52828191 _cell_length_c 3.61791266 _cell_angle_alpha 74.82705978 _cell_angle_beta 73.14211729 _cell_angle_gamma 32.03082293 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZnSi _chemical_formula_sum 'K1 Zn1 Si1' _cell_volume 78.88908847 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 2.48632590 2.62820767 12.00350529 1 Si Si1 1 2.48632590 2.62820767 3.30539274 1 Zn Zn2 1 2.48632590 2.62820767 8.83621257 1 [/CIF]
KSiZn
Fmm2
42
orthorhombic
mm2
2,790.339868
false
[CIF] data_GaRe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85329132 _cell_length_b 3.99237425 _cell_length_c 5.37564201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaRe2W _chemical_formula_sum 'Ga1 Re2 W1' _cell_volume 61.23612491 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 1.42664566 1.99618713 1.30832773 1 Re Re2 1 1.42664566 1.99618713 4.06731428 1 W W3 1 0.00000000 0.00000000 2.68782100 1 [/CIF]
GaRe2W
Pmmm
47
orthorhombic
mmm
16,974.608775
false
[CIF] data_VTc2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80191930 _cell_length_b 2.80191930 _cell_length_c 8.11842352 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.10317420 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTc2Ge _chemical_formula_sum 'V1 Tc2 Ge1' _cell_volume 58.62410712 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.05921176 1 Tc Tc1 1 1.54437858 0.00000000 6.12631420 1 Tc Tc2 1 1.54437858 0.00000000 1.99210932 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeTc2V
Cmmm
65
orthorhombic
mmm
9,103.543797
false
[CIF] data_KLiAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56742046 _cell_length_b 5.56742046 _cell_length_c 3.01975136 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiAl _chemical_formula_sum 'K1 Li1 Al1' _cell_volume 81.06060844 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000003 3.21435172 2.85942856 1 K K1 1 2.78371020 1.60717587 1.22996865 1 Li Li2 1 0.00000000 0.00000000 1.95010551 1 [/CIF]
AlKLi
P3m1
156
trigonal
3m
1,495.843141
false
[CIF] data_Cr2InPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78077121 _cell_length_b 4.24734266 _cell_length_c 5.37971284 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.74235129 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2InPt _chemical_formula_sum 'Cr2 In1 Pt1' _cell_volume 63.53385376 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.35571357 2.12367133 3.67972210 1 Cr Cr1 1 1.35535747 2.12367133 1.69953920 1 In In2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 -0.03485008 0.00000000 2.68963065 1 [/CIF]
Cr2InPt
P2/m
10
monoclinic
2/m
10,817.657798
false
[CIF] data_Zr2NiGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06835441 _cell_length_b 3.06835441 _cell_length_c 7.59613129 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2NiGe _chemical_formula_sum 'Zr2 Ni1 Ge1' _cell_volume 71.51604764 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.79806564 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.53417720 1.53417720 1.75948224 1 Zr Zr3 1 1.53417720 1.53417720 5.83664905 1 [/CIF]
GeNiZr2
P4/mmm
123
tetragonal
4/mmm
7,285.725236
false
[CIF] data_BaTaP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23008811 _cell_length_b 5.23008811 _cell_length_c 3.06965499 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTaP2 _chemical_formula_sum 'Ba1 Ta1 P2' _cell_volume 83.96679493 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 0.00000000 2.61504405 1.53482750 1 P P2 1 2.61504405 0.00000000 1.53482750 1 Ta Ta3 1 2.61504405 2.61504405 0.00000000 1 [/CIF]
BaP2Ta
P4/mmm
123
tetragonal
4/mmm
7,519.366255
false
[CIF] data_CaMnRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41450487 _cell_length_b 4.41450487 _cell_length_c 4.41450487 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMnRu2 _chemical_formula_sum 'Ca1 Mn1 Ru2' _cell_volume 60.83184706 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 3.12152633 3.12152633 3.12152633 1 Ru Ru2 1 1.56076317 1.56076317 1.56076317 1 Ru Ru3 1 4.68228950 4.68228950 4.68228950 1 [/CIF]
CaMnRu2
Fm-3m
225
cubic
m-3m
8,111.52785
false
[CIF] data_SmMnCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36406026 _cell_length_b 4.36406026 _cell_length_c 4.36406026 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmMnCr2 _chemical_formula_sum 'Sm1 Mn1 Cr2' _cell_volume 58.77020668 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.62878490 4.62878490 4.62878490 1 Cr Cr1 1 1.54292830 1.54292830 1.54292830 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Sm Sm3 1 3.08585660 3.08585660 3.08585660 1 [/CIF]
Cr2MnSm
Fm-3m
225
cubic
m-3m
8,738.92681
false
[CIF] data_HgMoAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75325044 _cell_length_b 4.75325044 _cell_length_c 4.75325044 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgMoAs2 _chemical_formula_sum 'Hg1 Mo1 As2' _cell_volume 75.93763963 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 5.04158343 5.04158343 5.04158343 1 As As1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 1.68052781 1.68052781 1.68052781 1 Mo Mo3 1 3.36105562 3.36105562 3.36105562 1 [/CIF]
As2HgMo
F-43m
216
cubic
-43m
9,761.343008
false
[CIF] data_Sm2HgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37478935 _cell_length_b 5.37478935 _cell_length_c 5.37478935 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2HgPb _chemical_formula_sum 'Sm2 Hg1 Pb1' _cell_volume 109.79165890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 3.80055000 3.80055000 3.80055000 1 Sm Sm2 1 5.70082500 5.70082500 5.70082500 1 Sm Sm3 1 1.90027500 1.90027500 1.90027500 1 [/CIF]
HgPbSm2
Fm-3m
225
cubic
m-3m
10,715.828014
false
[CIF] data_Na2ZrAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.76225949 _cell_length_b 6.76225949 _cell_length_c 6.76225949 _cell_angle_alpha 154.74528565 _cell_angle_beta 133.63242924 _cell_angle_gamma 53.52661209 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2ZrAg _chemical_formula_sum 'Na2 Zr1 Ag1' _cell_volume 95.04725624 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 -0.00000000 0.00000000 6.03784832 1 Na Na1 1 1.47829207 0.00000000 3.38470196 1 Na Na2 1 0.00000000 2.66217835 2.65314636 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgNa2Zr
Immm
71
orthorhombic
mmm
4,281.567002
false
[CIF] data_CaGaOsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53557873 _cell_length_b 4.53557873 _cell_length_c 4.53557873 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGaOsRh _chemical_formula_sum 'Ca1 Ga1 Os1 Rh1' _cell_volume 65.97556733 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 3.20713848 3.20713848 3.20713848 1 Os Os2 1 1.60356924 1.60356924 1.60356924 1 Rh Rh3 1 4.81070772 4.81070772 4.81070772 1 [/CIF]
CaGaOsRh
F-43m
216
cubic
-43m
10,141.508845
false
[CIF] data_Cd2NiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99495863 _cell_length_b 2.99495863 _cell_length_c 7.33055623 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2NiPd _chemical_formula_sum 'Cd2 Ni1 Pd1' _cell_volume 65.75345601 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49747931 1.49747931 5.59475257 1 Cd Cd1 1 1.49747931 1.49747931 1.73580366 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 3.66527812 1 [/CIF]
Cd2NiPd
P4/mmm
123
tetragonal
4/mmm
9,847.532491
false
[CIF] data_SrAgHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30161395 _cell_length_b 5.30161395 _cell_length_c 5.30799128 _cell_angle_alpha 113.56631316 _cell_angle_beta 113.56631316 _cell_angle_gamma 53.03107631 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAgHg2 _chemical_formula_sum 'Sr1 Ag1 Hg2' _cell_volume 106.63891002 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.59656199 0.00000000 3.94694224 1 Hg Hg1 1 7.07922259 0.00000000 4.56173632 1 Hg Hg2 1 6.52441938 0.00000000 0.96100541 1 Sr Sr3 1 3.59043100 0.00000000 2.40203168 1 [/CIF]
AgHg2Sr
Cm
8
monoclinic
m
9,291.081986
false
[CIF] data_MgTaNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50532315 _cell_length_b 7.50532315 _cell_length_c 7.50532315 _cell_angle_alpha 158.42205946 _cell_angle_beta 158.42205946 _cell_angle_gamma 30.70179266 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTaNb _chemical_formula_sum 'Mg1 Ta1 Nb1' _cell_volume 57.14340442 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00565557 1 Nb Nb1 1 0.00000000 -0.00000000 4.76736271 1 Ta Ta2 1 0.00000000 0.00000000 9.70208775 1 [/CIF]
MgNbTa
I4mm
107
tetragonal
4mm
8,664.256257
false
[CIF] data_Fe6Br7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.70315943 _cell_length_b 10.70315943 _cell_length_c 10.70315943 _cell_angle_alpha 40.07232332 _cell_angle_beta 40.07232332 _cell_angle_gamma 40.07232332 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe6Br7 _chemical_formula_sum 'Fe6 Br7' _cell_volume 457.90375217 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92010966 1.10857583 6.71450662 1 Br Br1 1 -1.92010966 1.10857583 6.71450662 1 Br Br2 1 -0.00000000 -2.21715165 6.71450662 1 Br Br3 1 -1.92010966 -1.10857583 22.77535819 1 Br Br4 1 -0.00000000 2.21715165 22.77535819 1 Br Br5 1 1.92010966 -1.10857583 22.77535819 1 Br Br6 1 0.00000000 0.00000000 0.00000000 1 Fe Fe7 1 -0.00000000 -0.00000000 15.79613108 1 Fe Fe8 1 -0.00000000 -0.00000000 13.69373374 1 Fe Fe9 1 -0.00000000 -0.00000000 21.83555070 1 Fe Fe10 1 -0.00000000 -0.00000000 7.65431411 1 Fe Fe11 1 -0.00000000 -0.00000000 24.04696795 1 Fe Fe12 1 0.00000000 0.00000000 5.44289687 1 [/CIF]
Br7Fe6
R-3m
166
trigonal
-3m
3,243.438852
false
[CIF] data_La2SbTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58801624 _cell_length_b 5.58801624 _cell_length_c 5.58801624 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2SbTe _chemical_formula_sum 'La2 Sb1 Te1' _cell_volume 123.38375467 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97566209 1.97566209 1.97566209 1 La La1 1 5.92698627 5.92698627 5.92698627 1 Sb Sb2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 3.95132418 3.95132418 3.95132418 1 [/CIF]
La2SbTe
Fm-3m
225
cubic
m-3m
7,094.839535
false
[CIF] data_YGaBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69932491 _cell_length_b 3.69932491 _cell_length_c 7.83745104 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YGaBr2 _chemical_formula_sum 'Y1 Ga1 Br2' _cell_volume 107.25555502 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.30571831 1 Br Br1 1 1.84966246 1.84966246 2.51571410 1 Ga Ga2 1 0.00000000 0.00000000 4.09190638 1 Y Y3 1 1.84966246 1.84966246 5.68028881 1 [/CIF]
Br2GaY
P4mm
99
tetragonal
4mm
4,930.064737
false
[CIF] data_KHfRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.76927389 _cell_length_b 7.76927389 _cell_length_c 7.76927389 _cell_angle_alpha 155.06695591 _cell_angle_beta 155.06695591 _cell_angle_gamma 35.55062763 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfRe _chemical_formula_sum 'K1 Hf1 Re1' _cell_volume 83.24120554 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 -0.00000000 0.78000478 1 K K1 1 0.00000000 -0.00000000 4.63423363 1 Re Re2 1 0.00000000 -0.00000000 9.38251487 1 [/CIF]
HfKRe
I4mm
107
tetragonal
4mm
8,055.119652
false
[CIF] data_Ca2GaW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40988527 _cell_length_b 5.40988527 _cell_length_c 5.40988527 _cell_angle_alpha 130.84828180 _cell_angle_beta 130.84828180 _cell_angle_gamma 72.05423850 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2GaW _chemical_formula_sum 'Ca2 Ga1 W1' _cell_volume 88.59420790 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Ca Ca1 1 2.24995862 -0.00000000 2.18759177 1 Ga Ga2 1 0.00000000 0.00000000 4.37518354 1 W W3 1 -0.00000000 2.24995862 2.18759177 1 [/CIF]
Ca2GaW
I-4m2
119
tetragonal
-42m
6,254.962371
false
[CIF] data_CaCuPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01326256 _cell_length_b 4.61041828 _cell_length_c 5.23854932 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.85644708 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCuPd2 _chemical_formula_sum 'Ca1 Cu1 Pd2' _cell_volume 71.22338261 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.90335391 0.00000000 2.50897794 1 Cu Cu1 1 -0.28169626 2.30520914 4.06922216 1 Pd Pd2 1 -1.01289171 0.00000000 5.00268896 1 Pd Pd3 1 2.22034285 2.30520914 1.23607891 1 [/CIF]
CaCuPd2
Pm
6
monoclinic
m
7,378.20665
false
[CIF] data_YTcGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57361878 _cell_length_b 5.57361878 _cell_length_c 5.57361878 _cell_angle_alpha 144.80485418 _cell_angle_beta 144.80485418 _cell_angle_gamma 50.62543146 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTcGe _chemical_formula_sum 'Y1 Tc1 Ge1' _cell_volume 57.22626157 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.33118280 1 Tc Tc1 1 0.00000000 0.00000000 6.40799726 1 Y Y2 1 -0.00000000 0.00000000 3.33778541 1 [/CIF]
GeTcY
I4mm
107
tetragonal
4mm
7,557.558683
false
[CIF] data_LaZr2Ta _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24829327 _cell_length_b 3.24829327 _cell_length_c 9.49736855 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZr2Ta _chemical_formula_sum 'La1 Zr2 Ta1' _cell_volume 100.21062159 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Ta Ta1 1 0.00000000 0.00000000 4.74868428 1 Zr Zr2 1 1.62414664 1.62414664 6.67413091 1 Zr Zr3 1 1.62414664 1.62414664 2.82323764 1 [/CIF]
LaTaZr2
P4/mmm
123
tetragonal
4/mmm
8,323.379315
false
[CIF] data_MnCu2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61926183 _cell_length_b 3.61926183 _cell_length_c 3.76506866 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCu2Ir _chemical_formula_sum 'Mn1 Cu2 Ir1' _cell_volume 49.31884595 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80963092 1.88253433 1 Cu Cu1 1 1.80963092 0.00000000 1.88253433 1 Ir Ir2 1 1.80963092 1.80963092 0.00000000 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2IrMn
P4/mmm
123
tetragonal
4/mmm
12,600.697092
false
[CIF] data_HfTaV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39463746 _cell_length_b 4.39463746 _cell_length_c 4.39463746 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaV _chemical_formula_sum 'Hf1 Ta1 V1' _cell_volume 60.01421954 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.55373897 1.55373897 1.55373897 1 Ta Ta1 1 4.66121692 4.66121692 4.66121692 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfTaV
F-43m
216
cubic
-43m
11,354.825537
false
[CIF] data_Ba2NaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62571981 _cell_length_b 5.62571981 _cell_length_c 4.29640572 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2NaPt _chemical_formula_sum 'Ba2 Na1 Pt1' _cell_volume 135.97575616 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 2.81285991 0.00000000 2.14820286 1 Ba Ba1 1 0.00000000 2.81285991 2.14820286 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 2.81285991 2.81285991 0.00000000 1 [/CIF]
Ba2NaPt
P4/mmm
123
tetragonal
4/mmm
6,017.202871
false
[CIF] data_SrTeMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40725130 _cell_length_b 3.40725130 _cell_length_c 8.01200391 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTeMo2 _chemical_formula_sum 'Sr1 Te1 Mo2' _cell_volume 93.01424910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.23129445 1 Mo Mo1 1 1.70362565 1.70362565 1.41952607 1 Sr Sr2 1 0.00000000 0.00000000 3.85555279 1 Te Te3 1 1.70362565 1.70362565 6.51163263 1 [/CIF]
Mo2SrTe
P4mm
99
tetragonal
4mm
7,268.476412
false
[CIF] data_Tc2BiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81427749 _cell_length_b 4.81427749 _cell_length_c 4.98766533 _cell_angle_alpha 102.32226195 _cell_angle_beta 102.32226195 _cell_angle_gamma 37.53060390 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2BiRu _chemical_formula_sum 'Tc2 Bi1 Ru1' _cell_volume 68.61000476 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.02276123 -0.00000000 2.32712636 1 Ru Ru1 1 6.48839627 -0.00000000 1.16878139 1 Tc Tc2 1 7.99032567 -0.00000000 4.65311672 1 Tc Tc3 1 1.47993684 -0.00000000 3.99928780 1 [/CIF]
BiRuTc2
Cm
8
monoclinic
m
12,291.589583
false
[CIF] data_BaLaAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26264421 _cell_length_b 5.26264421 _cell_length_c 5.26264421 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLaAg _chemical_formula_sum 'Ba1 La1 Ag1' _cell_volume 103.06163603 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 1.86062571 1.86062571 1.86062571 1 La La2 1 3.72125141 3.72125141 3.72125141 1 [/CIF]
AgBaLa
F-43m
216
cubic
-43m
6,188.667215
false
[CIF] data_RbPd5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07713266 _cell_length_b 3.07713266 _cell_length_c 11.83573253 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbPd5 _chemical_formula_sum 'Rb1 Pd5' _cell_volume 112.06953798 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53856633 1.53856633 2.60678790 1 Pd Pd1 1 0.00000000 0.00000000 4.26118044 1 Pd Pd2 1 1.53856633 1.53856633 5.91786626 1 Pd Pd3 1 0.00000000 0.00000000 7.57455209 1 Pd Pd4 1 1.53856633 1.53856633 9.22894463 1 Rb Rb5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pd5Rb
P4/mmm
123
tetragonal
4/mmm
9,150.528115
false
[CIF] data_KLiHfPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78951784 _cell_length_b 4.78951784 _cell_length_c 4.78951784 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiHfPt _chemical_formula_sum 'K1 Li1 Hf1 Pt1' _cell_volume 77.68915301 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.38670054 3.38670054 3.38670054 1 K K1 1 1.69335027 1.69335027 1.69335027 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 5.08005081 5.08005081 5.08005081 1 [/CIF]
HfKLiPt
F-43m
216
cubic
-43m
8,968.874682
false
[CIF] data_HfAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80477816 _cell_length_b 5.80477816 _cell_length_c 10.52300853 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAs3 _chemical_formula_sum 'Hf4 As12' _cell_volume 307.07312421 _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 As As0 1 -1.45119454 2.51354267 5.26150427 1 As As1 1 -1.45119454 2.51354267 0.00000000 1 As As2 1 1.45119454 2.51354267 5.26150427 1 As As3 1 2.90238908 0.00000000 5.26150427 1 As As4 1 2.90238908 0.00000000 0.00000000 1 As As5 1 1.45119454 2.51354267 0.00000000 1 As As6 1 1.53909689 4.23998823 7.89225640 1 As As7 1 1.36329219 0.78709711 2.63075213 1 As As8 1 -1.53909689 4.23998823 7.89225640 1 As As9 1 0.00000000 1.57419422 7.89225640 1 As As10 1 2.90238908 3.45289112 2.63075213 1 As As11 1 4.44148597 0.78709711 2.63075213 1 Hf Hf12 1 0.00000000 0.00000000 5.26150427 1 Hf Hf13 1 0.00000000 0.00000000 0.00000000 1 Hf Hf14 1 2.90238908 1.67569512 7.89225640 1 Hf Hf15 1 -0.00000000 3.35139023 2.63075213 1 [/CIF]
As12Hf4
P6_3/mmc
194
hexagonal
6/mmm
8,722.617471
false
[CIF] data_YSiSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88230711 _cell_length_b 3.88230711 _cell_length_c 6.34904789 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSiSn2 _chemical_formula_sum 'Y1 Si1 Sn2' _cell_volume 95.69480846 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 1.94115356 1.94115356 1.43303909 1 Sn Sn2 1 1.94115356 1.94115356 4.91600880 1 Y Y3 1 0.00000000 0.00000000 3.17452394 1 [/CIF]
SiSn2Y
P4/mmm
123
tetragonal
4/mmm
6,149.904073
false
[CIF] data_Li2IrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15332232 _cell_length_b 4.15332232 _cell_length_c 4.15332232 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2IrW _chemical_formula_sum 'Li2 Ir1 W1' _cell_volume 50.66078459 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 2.93684238 2.93684238 2.93684238 1 Li Li1 1 1.46842119 1.46842119 1.46842119 1 Li Li2 1 4.40526357 4.40526357 4.40526357 1 W W3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
IrLi2W
Fm-3m
225
cubic
m-3m
12,781.265594
false
[CIF] data_K2CaAs2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.37101100 _cell_length_b 5.93171000 _cell_length_c 14.91904080 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.93605500 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CaAs2O7 _chemical_formula_sum 'K8 Ca4 As8 O28' _cell_volume 797.42085183 _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 K K0 1 1.57822495 4.34754007 11.99065264 1 K K1 1 -2.20628876 1.50576458 8.80192292 1 K K2 1 7.48106276 4.42594542 5.54376008 1 K K3 1 1.64843055 1.38168507 9.52787186 1 K K4 1 3.62634345 4.55002493 4.81781114 1 K K5 1 5.43294426 4.47161958 12.71660158 1 K K6 1 -0.15817026 1.46009042 1.62908142 1 K K7 1 3.69654905 1.58416993 2.35503036 1 Ca Ca8 1 4.26986342 4.57866915 9.14426829 1 Ca Ca9 1 1.00491058 1.35304085 5.20141471 1 Ca Ca10 1 -1.04320792 1.61281415 12.37425621 1 Ca Ca11 1 6.31798192 4.31889585 1.97142679 1 As As12 1 2.43763246 1.22707505 13.94901052 1 As As13 1 -1.21496910 4.51068583 10.01612718 1 As As14 1 2.83714154 4.70463495 0.39667248 1 As As15 1 6.48974310 1.42102417 4.32955582 1 As As16 1 0.83314940 4.38687917 2.84328568 1 As As17 1 4.44162460 1.54483083 11.50239732 1 As As18 1 4.48575096 1.73877995 6.77616902 1 As As19 1 0.78902304 4.19293005 7.56951398 1 O O20 1 3.73918807 2.89848264 10.75069788 1 O O21 1 5.78730657 0.06737236 3.57785638 1 O O22 1 3.98881745 4.43664029 1.61360242 1 O O23 1 1.94069895 4.46092471 8.78644392 1 O O24 1 2.69723169 5.51536921 14.33373305 1 O O25 1 6.46352717 4.54258063 9.96200092 1 O O26 1 -1.14416604 3.73798569 13.35240225 1 O O27 1 0.52942381 2.54951421 7.18479145 1 O O28 1 4.04998230 1.78284662 13.27799120 1 O O29 1 1.53558593 3.03322736 3.59498512 1 O O30 1 -0.53491322 3.01181982 10.45202076 1 O O31 1 2.57754231 0.41634079 0.01194995 1 O O32 1 5.80968722 2.91989018 3.89366224 1 O O33 1 3.33407505 1.47078529 5.55923908 1 O O34 1 6.41894004 2.19372431 0.99328075 1 O O35 1 8.51164567 4.35498437 2.78915942 1 O O36 1 4.74535019 3.38219579 7.16089155 1 O O37 1 -0.51253257 5.86433764 10.76782662 1 O O38 1 1.51320528 5.88574518 3.27917926 1 O O39 1 3.76156872 0.04596482 11.06650374 1 O O40 1 -3.23687167 1.57672563 11.55652358 1 O O41 1 -1.18875317 1.38912937 4.38368208 1 O O42 1 1.22479170 4.14886338 1.06769180 1 O O43 1 0.90395246 5.15957931 6.17956075 1 O O44 1 -0.82332680 4.74870162 8.24053330 1 O O45 1 6.09810080 1.18300838 6.10514970 1 O O46 1 4.37082154 0.77213069 8.16612225 1 O O47 1 1.28595655 1.49506971 12.73208058 1 [/CIF]
As8Ca4K8O28
P2_1/c
14
monoclinic
2/m
3,166.174956
true
[CIF] data_Ca3La3(BO3)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.60468411 _cell_length_b 10.60468411 _cell_length_c 6.44457600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3La3(BO3)5 _chemical_formula_sum 'Ca6 La6 B10 O30' _cell_volume 627.65422152 _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 Ca Ca0 1 5.30234206 0.49569321 1.70254098 1 Ca Ca1 1 2.22188811 4.83980953 4.92482898 1 Ca Ca2 1 -2.22188811 4.83980953 4.92482898 1 Ca Ca3 1 7.52423017 4.34411631 1.70254098 1 Ca Ca4 1 3.08045394 4.34411631 1.70254098 1 Ca Ca5 1 -0.00000000 8.68823263 4.92482898 1 La La6 1 5.30234206 6.32561260 3.73470913 1 La La7 1 -2.82697018 7.75476922 0.51242113 1 La La8 1 2.82697018 7.75476922 0.51242113 1 La La9 1 2.47537188 1.42915662 3.73470913 1 La La10 1 8.12931223 1.42915662 3.73470913 1 La La11 1 -0.00000000 2.85831324 0.51242113 1 B B12 1 0.00000000 0.00000000 1.58642261 1 B B13 1 5.30234206 3.06130861 3.85499069 1 B B14 1 0.00000000 6.12261723 0.63270269 1 B B15 1 0.00000000 0.00000000 4.80871061 1 B B16 1 -0.00000000 3.63569583 3.53044185 1 B B17 1 7.45607917 1.81784791 0.30815385 1 B B18 1 3.14860495 1.81784791 0.30815385 1 B B19 1 2.15373711 7.36607793 3.53044185 1 B B20 1 -2.15373711 7.36607793 3.53044185 1 B B21 1 5.30234206 5.54823001 0.30815385 1 O O22 1 4.08957978 3.76149724 3.85066638 1 O O23 1 0.00000000 7.52299448 0.62837838 1 O O24 1 6.51510434 3.76149724 3.85066638 1 O O25 1 -1.21276228 5.42242860 0.62837838 1 O O26 1 1.21276228 5.42242860 0.62837838 1 O O27 1 5.30234206 1.66093136 3.85066638 1 O O28 1 5.30234206 5.03402201 1.57912090 1 O O29 1 -1.70841991 7.10897392 4.80140890 1 O O30 1 1.70841991 7.10897392 4.80140890 1 O O31 1 -0.00000000 4.14990383 4.80140890 1 O O32 1 3.59392214 2.07495192 1.57912090 1 O O33 1 7.01076197 2.07495192 1.57912090 1 O O34 1 8.25371048 2.75725332 6.09876005 1 O O35 1 1.73900382 8.52654961 2.87647205 1 O O36 1 1.21236460 3.41462955 2.87647205 1 O O37 1 4.08997745 5.76929629 6.09876005 1 O O38 1 3.56333823 0.65737623 6.09876005 1 O O39 1 -2.95136843 6.42667252 2.87647205 1 O O40 1 6.51470666 5.76929629 6.09876005 1 O O41 1 7.04134588 0.65737623 6.09876005 1 O O42 1 2.35097363 2.75725332 6.09876005 1 O O43 1 2.95136843 6.42667252 2.87647205 1 O O44 1 -1.21236460 3.41462955 2.87647205 1 O O45 1 -1.73900382 8.52654961 2.87647205 1 O O46 1 5.30234206 7.80093682 1.54365640 1 O O47 1 -4.10463843 8.49243133 4.76594440 1 O O48 1 4.10463843 8.49243133 4.76594440 1 O O49 1 1.19770363 0.69149451 1.54365640 1 O O50 1 9.40698048 0.69149451 1.54365640 1 O O51 1 0.00000000 1.38298902 4.76594440 1 [/CIF]
B10Ca6La6O30
P6_3mc
186
hexagonal
6mm
4,397.013343
true
[CIF] data_RbCuO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32657992 _cell_length_b 4.32657992 _cell_length_c 4.32657992 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbCuO _chemical_formula_sum 'Rb1 Cu1 O1' _cell_volume 57.26894635 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rb Rb0 1 1.52967700 1.52967700 1.52967700 1 Cu Cu1 1 4.58903100 4.58903100 4.58903100 1 O O2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuORb
F-43m
216
cubic
-43m
4,784.632555
false
[CIF] data_Fe3Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55910000 _cell_length_b 3.55910000 _cell_length_c 3.55910000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3Re _chemical_formula_sum 'Fe3 Re1' _cell_volume 45.08380593 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77955000 1.77955000 0.00000000 1 Fe Fe1 1 1.77955000 0.00000000 1.77955000 1 Fe Fe2 1 0.00000000 1.77955000 1.77955000 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe3Re
Pm-3m
221
cubic
m-3m
13,029.122064
false
[CIF] data_InNiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44093139 _cell_length_b 6.44093139 _cell_length_c 6.44093139 _cell_angle_alpha 152.86050341 _cell_angle_beta 152.86050341 _cell_angle_gamma 38.75799538 _symmetry_Int_Tables_number 1 _chemical_formula_structural InNiAs _chemical_formula_sum 'In1 Ni1 As1' _cell_volume 55.50591232 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.59235106 1 In In1 1 0.00000000 -0.00000000 8.40344265 1 Ni Ni2 1 0.00000000 -0.00000000 4.30827126 1 [/CIF]
AsInNi
I4mm
107
tetragonal
4mm
7,432.229913
false
[CIF] data_La3Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.86432771 _cell_length_b 10.86432771 _cell_length_c 10.86432771 _cell_angle_alpha 153.63036800 _cell_angle_beta 153.63036800 _cell_angle_gamma 37.63708090 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3Hg _chemical_formula_sum 'La6 Hg2' _cell_volume 252.59988637 _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 Hg Hg0 1 -0.00000000 0.00000000 7.71924925 1 Hg Hg1 1 0.00000000 0.00000000 12.84789933 1 La La2 1 0.00000000 2.47807550 -0.00000000 1 La La3 1 2.47807550 0.00000000 -0.00000000 1 La La4 1 0.00000000 2.47807551 5.14178714 1 La La5 1 2.47807551 -0.00000000 5.14178715 1 La La6 1 0.00000000 -0.00000000 2.58981072 1 La La7 1 -0.00000000 0.00000000 17.97733786 1 [/CIF]
Hg2La6
I4/mmm
139
tetragonal
4/mmm
8,116.087656
false
[CIF] data_Mn2ZnNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12294471 _cell_length_b 4.12294471 _cell_length_c 4.12294471 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2ZnNi _chemical_formula_sum 'Mn2 Zn1 Ni1' _cell_volume 49.55728817 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 4.37304324 4.37304324 4.37304324 1 Ni Ni2 1 2.91536216 2.91536216 2.91536216 1 Zn Zn3 1 1.45768108 1.45768108 1.45768108 1 [/CIF]
Mn2NiZn
F-43m
216
cubic
-43m
7,839.054195
false
[CIF] data_NiRuW4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17693371 _cell_length_b 5.17693371 _cell_length_c 5.17693371 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiRuW4 _chemical_formula_sum 'Ni1 Ru1 W4' _cell_volume 98.10763648 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 1.83032247 1.83032247 1.83032247 1 W W2 1 2.73910800 2.73910800 4.58218186 1 W W3 1 2.73910800 4.58218186 2.73910800 1 W W4 1 4.58218186 2.73910800 2.73910800 1 W W5 1 4.58218186 4.58218186 4.58218186 1 [/CIF]
NiRuW4
F-43m
216
cubic
-43m
15,150.577758
false
[CIF] data_LaTlP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76796918 _cell_length_b 4.76796918 _cell_length_c 8.10907034 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTlP _chemical_formula_sum 'La2 Tl2 P2' _cell_volume 159.64987348 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 0.00000000 0.00000000 4.05453517 1 P P2 1 0.00000000 2.75278829 2.02726758 1 P P3 1 2.38398459 1.37639415 6.08180276 1 Tl Tl4 1 0.00000000 2.75278829 6.08180276 1 Tl Tl5 1 2.38398459 1.37639415 2.02726758 1 [/CIF]
La2P2Tl2
P6_3/mmc
194
hexagonal
6/mmm
7,785.506393
false
[CIF] data_SiAg2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77567310 _cell_length_b 5.77567310 _cell_length_c 5.77567310 _cell_angle_alpha 147.78048153 _cell_angle_beta 126.16771793 _cell_angle_gamma 64.14071160 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAg2Br _chemical_formula_sum 'Si1 Ag2 Br1' _cell_volume 82.03149217 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.61456591 2.79165321 1 Ag Ag1 1 1.60262395 0.00000000 2.10263339 1 Br Br2 1 -0.00000000 -0.00000000 4.89428660 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2BrSi
Immm
71
orthorhombic
mmm
6,553.086987
false
[CIF] data_NaAlTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76915881 _cell_length_b 4.08911750 _cell_length_c 6.51437924 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAlTc2 _chemical_formula_sum 'Na1 Al1 Tc2' _cell_volume 73.76502449 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.25718962 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.38457941 2.04455875 2.12343162 1 Tc Tc3 1 1.38457941 2.04455875 4.39094762 1 [/CIF]
AlNaTc2
Pmmm
47
orthorhombic
mmm
5,577.908092
false
[CIF] data_SrBiRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48125759 _cell_length_b 4.11750563 _cell_length_c 6.23629731 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBiRh2 _chemical_formula_sum 'Sr1 Bi1 Rh2' _cell_volume 89.39169509 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74062880 2.05875281 5.10828789 1 Rh Rh1 1 0.00000000 0.00000000 6.10267423 1 Rh Rh2 1 1.74062880 2.05875281 1.51238978 1 Sr Sr3 1 0.00000000 0.00000000 2.86739138 1 [/CIF]
BiRh2Sr
Pmm2
25
orthorhombic
mm2
9,332.788201
false
[CIF] data_NbAlGaTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44355330 _cell_length_b 4.44355330 _cell_length_c 4.44355330 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAlGaTc _chemical_formula_sum 'Nb1 Al1 Ga1 Tc1' _cell_volume 62.04062772 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 1.57103334 1.57103334 1.57103334 1 Nb Nb2 1 3.14206667 3.14206667 3.14206667 1 Tc Tc3 1 4.71310001 4.71310001 4.71310001 1 [/CIF]
AlGaNbTc
F-43m
216
cubic
-43m
7,722.261434
false
[CIF] data_LiIn3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96608997 _cell_length_b 4.96608997 _cell_length_c 4.96608997 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiIn3Au _chemical_formula_sum 'Li1 In3 Au1' _cell_volume 122.47395711 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 2.48304498 2.48304498 2.48304498 1 In In2 1 0.00000000 2.48304498 0.00000000 1 In In3 1 0.00000000 0.00000000 2.48304498 1 In In4 1 2.48304498 0.00000000 0.00000000 1 [/CIF]
AuIn3Li
Pm-3m
221
cubic
m-3m
7,434.852514
false
[CIF] data_Ca2HgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.27932473 _cell_length_b 6.27932473 _cell_length_c 6.27932473 _cell_angle_alpha 135.58578546 _cell_angle_beta 135.58578546 _cell_angle_gamma 64.62137158 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2HgPb _chemical_formula_sum 'Ca2 Hg1 Pb1' _cell_volume 119.56952723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Ca Ca1 1 2.37330616 -0.00000000 2.65352383 1 Hg Hg2 1 0.00000000 0.00000000 5.30704766 1 Pb Pb3 1 0.00000000 2.37330616 2.65352383 1 [/CIF]
Ca2HgPb
I-4m2
119
tetragonal
-42m
6,776.420499
false
[CIF] data_ZrZnCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21837840 _cell_length_b 4.21837840 _cell_length_c 3.06821375 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrZnCo _chemical_formula_sum 'Zr1 Zn1 Co1' _cell_volume 47.28324925 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Zn Zn1 1 2.10918920 1.21774095 0.00000000 1 Zr Zr2 1 0.00000000 2.43548191 1.53410687 1 [/CIF]
CoZnZr
P-6m2
187
hexagonal
-6m2
7,569.444537
false
[CIF] data_Zn2GeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47484653 _cell_length_b 5.47484653 _cell_length_c 3.26936264 _cell_angle_alpha 98.49096375 _cell_angle_beta 98.49096375 _cell_angle_gamma 122.15289677 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2GeCl _chemical_formula_sum 'Zn2 Ge1 Cl1' _cell_volume 79.00520894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 2.64786685 0.00000000 0.00000000 1 Zn Zn2 1 0.82487379 -2.39597296 1.55663820 1 Zn Zn3 1 0.82487379 2.39597296 1.55663820 1 [/CIF]
ClGeZn2
C2/m
12
monoclinic
2/m
5,020.235286
false
[CIF] data_Si5Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41321565 _cell_length_b 5.41321565 _cell_length_c 7.05449398 _cell_angle_alpha 119.97653002 _cell_angle_beta 119.97653002 _cell_angle_gamma 31.13514197 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si5Pd _chemical_formula_sum 'Si5 Pd1' _cell_volume 91.38363070 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.84978918 -0.00000000 5.86985267 1 Si Si1 1 0.05979833 0.00000000 0.48109964 1 Si Si2 1 1.28918686 -0.00000000 4.42661818 1 Si Si3 1 5.71870046 0.00000000 2.53402194 1 Si Si4 1 3.68322931 0.00000000 3.88531112 1 Si Si5 1 8.06168878 0.00000000 1.90253013 1 [/CIF]
PdSi5
Cm
8
monoclinic
m
4,485.485137
false
[CIF] data_LaWCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.29248705 _cell_length_b 7.29248705 _cell_length_c 7.29248705 _cell_angle_alpha 154.02177530 _cell_angle_beta 145.31107244 _cell_angle_gamma 43.84514671 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaWCl2 _chemical_formula_sum 'La1 W1 Cl2' _cell_volume 96.42836275 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.06468235 1 Cl Cl1 1 1.63910238 0.00000000 3.11037943 1 La La2 1 0.00000000 -0.00000000 7.62463762 1 W W3 1 0.00000000 2.17400500 3.26094744 1 [/CIF]
Cl2LaW
Imm2
44
orthorhombic
mm2
6,778.852466
false
[CIF] data_Cu3Mo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19320377 _cell_length_b 4.19320377 _cell_length_c 5.21976936 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu3Mo2 _chemical_formula_sum 'Cu3 Mo2' _cell_volume 79.48293225 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 2.09660188 1.21047366 3.21464690 1 Cu Cu2 1 -0.00000000 2.42094733 2.00512246 1 Mo Mo3 1 2.09660188 1.21047366 0.65616416 1 Mo Mo4 1 -0.00000000 2.42094733 4.56360520 1 [/CIF]
Cu3Mo2
P-3m1
164
trigonal
-3m
7,992.313391
false
[CIF] data_Ta2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48720682 _cell_length_b 6.39485057 _cell_length_c 2.78588170 _cell_angle_alpha 79.37201983 _cell_angle_beta 75.66228869 _cell_angle_gamma 24.96569148 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2Ni _chemical_formula_sum 'Ta2 Ni1' _cell_volume 47.03316050 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 1.81264976 2.11552303 4.22038389 1 Ta Ta2 1 1.81264976 2.11552303 8.04475609 1 [/CIF]
NiTa2
Fmmm
69
orthorhombic
mmm
14,849.198579
false
[CIF] data_NaAlIr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21004627 _cell_length_b 5.21004627 _cell_length_c 5.21004627 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAlIr4 _chemical_formula_sum 'Na1 Al1 Ir4' _cell_volume 100.00224359 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84202953 1.84202953 1.84202953 1 Ir Ir1 1 2.76393841 2.76393841 4.60417969 1 Ir Ir2 1 2.76393841 4.60417969 2.76393841 1 Ir Ir3 1 4.60417969 2.76393841 2.76393841 1 Ir Ir4 1 4.60417969 4.60417969 4.60417969 1 Na Na5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AlIr4Na
F-43m
216
cubic
-43m
13,596.841542
false
[CIF] data_Zr2ReSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86586564 _cell_length_b 4.86586564 _cell_length_c 3.44591246 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.24723179 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2ReSn _chemical_formula_sum 'Zr2 Re1 Sn1' _cell_volume 79.73083341 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.05402277 -0.00000000 0.00000000 1 Sn Sn1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.52701139 1.89404285 1.72295623 1 Zr Zr3 1 1.52701138 -1.89404286 1.72295623 1 [/CIF]
ReSnZr2
Cmmm
65
orthorhombic
mmm
10,150.259161
false
[CIF] data_RuPtPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26954746 _cell_length_b 3.26954746 _cell_length_c 8.39754290 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RuPtPb2 _chemical_formula_sum 'Ru1 Pt1 Pb2' _cell_volume 89.76923473 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63477373 1.63477373 7.85274827 1 Pb Pb1 1 0.00000000 0.00000000 2.65632698 1 Pt Pt2 1 1.63477373 1.63477373 4.56104372 1 Ru Ru3 1 0.00000000 0.00000000 5.92373828 1 [/CIF]
Pb2PtRu
P4mm
99
tetragonal
4mm
13,143.731029
false
[CIF] data_Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80079696 _cell_length_b 3.80079696 _cell_length_c 2.40577710 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co _chemical_formula_sum Co3 _cell_volume 30.09784194 _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 Co Co0 1 0.00000000 2.19439115 0.83486560 1 Co Co1 1 1.90039848 1.09719557 1.57091149 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co6
P-3m1
164
trigonal
-3m
9,754.274687
false
[CIF] data_Al2InHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98308446 _cell_length_b 4.98308446 _cell_length_c 4.98308446 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2InHg _chemical_formula_sum 'Al2 In1 Hg1' _cell_volume 87.49429696 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.28535922 5.28535922 5.28535922 1 Al Al1 1 1.76178641 1.76178641 1.76178640 1 Hg Hg2 1 3.52357281 3.52357281 3.52357281 1 In In3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2HgIn
Fm-3m
225
cubic
m-3m
7,010.229525
false
[CIF] data_Mg2CuSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03040056 _cell_length_b 3.03040056 _cell_length_c 7.39390205 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2CuSi _chemical_formula_sum 'Mg2 Cu1 Si1' _cell_volume 67.90062443 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.69695103 1 Mg Mg1 1 1.51520028 1.51520028 5.41914202 1 Mg Mg2 1 1.51520028 1.51520028 1.97476003 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuMg2Si
P4/mmm
123
tetragonal
4/mmm
3,429.666391
false
[CIF] data_LiRe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.53870542 _cell_length_b 9.53870542 _cell_length_c 9.53870542 _cell_angle_alpha 16.33387648 _cell_angle_beta 16.33387648 _cell_angle_gamma 16.33387648 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiRe2Pd _chemical_formula_sum 'Li1 Re2 Pd1' _cell_volume 59.85026313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 -0.00000000 0.00000000 14.11425055 1 Re Re2 1 -0.00000000 0.00000000 21.22879202 1 Re Re3 1 0.00000000 0.00000000 6.99970907 1 [/CIF]
LiPdRe2
R-3m
166
trigonal
-3m
13,477.774755
false
[CIF] data_Ta11(CoSe4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.15164369 _cell_length_b 19.58923081 _cell_length_c 3.42452451 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta11(CoSe4)2 _chemical_formula_sum 'Ta22 Co4 Se16' _cell_volume 815.17844762 _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 Co Co0 1 10.99184075 2.50450040 0.00000000 1 Co Co1 1 1.15980294 17.08473041 0.00000000 1 Co Co2 1 4.91601891 7.29011501 1.71226225 1 Co Co3 1 7.23562478 12.29911580 1.71226225 1 Se Se4 1 2.49422803 1.09798873 0.00000000 1 Se Se5 1 5.54460423 3.40216730 0.00000000 1 Se Se6 1 8.67908172 5.58220265 0.00000000 1 Se Se7 1 1.31139299 8.76286492 0.00000000 1 Se Se8 1 10.84025070 10.82636589 0.00000000 1 Se Se9 1 3.47256197 14.00702816 0.00000000 1 Se Se10 1 6.60703946 16.18706351 0.00000000 1 Se Se11 1 9.65741566 18.49124208 0.00000000 1 Se Se12 1 7.38721484 1.03175049 1.71226225 1 Se Se13 1 2.60325987 4.21241276 1.71226225 1 Se Se14 1 11.62042608 6.39244810 1.71226225 1 Se Se15 1 8.57004988 8.69662668 1.71226225 1 Se Se16 1 3.58159381 10.89260413 1.71226225 1 Se Se17 1 0.53121761 13.19678271 1.71226225 1 Se Se18 1 9.54838382 15.37681805 1.71226225 1 Se Se19 1 4.76442885 18.55748032 1.71226225 1 Ta Ta20 1 0.00000000 0.00000000 0.00000000 1 Ta Ta21 1 8.15792117 2.85660350 0.00000000 1 Ta Ta22 1 0.62100538 4.75919579 0.00000000 1 Ta Ta23 1 4.19060965 5.64950752 0.00000000 1 Ta Ta24 1 6.80655450 7.52061189 0.00000000 1 Ta Ta25 1 3.87471673 8.76876480 0.00000000 1 Ta Ta26 1 8.27692696 10.82046601 0.00000000 1 Ta Ta27 1 5.34508919 12.06861892 0.00000000 1 Ta Ta28 1 7.96103404 13.93972329 0.00000000 1 Ta Ta29 1 11.53063831 14.83003502 0.00000000 1 Ta Ta30 1 3.99372252 16.73262731 0.00000000 1 Ta Ta31 1 9.95053858 1.02585060 1.71226225 1 Ta Ta32 1 0.73073265 2.27400352 1.71226225 1 Ta Ta33 1 10.26643149 4.14510788 1.71226225 1 Ta Ta34 1 6.69682722 5.03541962 1.71226225 1 Ta Ta35 1 2.08209933 6.93801190 1.71226225 1 Ta Ta36 1 6.07582185 9.79461541 1.71226225 1 Ta Ta37 1 10.06954436 12.65121891 1.71226225 1 Ta Ta38 1 5.45481647 14.55381119 1.71226225 1 Ta Ta39 1 1.88521220 15.44412293 1.71226225 1 Ta Ta40 1 11.42091104 17.31522729 1.71226225 1 Ta Ta41 1 2.20110511 18.56338021 1.71226225 1 [/CIF]
Co4Se16Ta22
Pnnm
58
orthorhombic
mmm
11,162.788559
false
[CIF] data_Zr2CdFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23145889 _cell_length_b 3.23145889 _cell_length_c 7.33136601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2CdFe _chemical_formula_sum 'Zr2 Cd1 Fe1' _cell_volume 76.55651799 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61572945 1.61572945 3.93417933 1 Fe Fe1 1 0.00000000 0.00000000 5.64124876 1 Zr Zr2 1 1.61572945 1.61572945 6.99636694 1 Zr Zr3 1 0.00000000 0.00000000 1.75662000 1 [/CIF]
CdFeZr2
P4mm
99
tetragonal
4mm
7,606.898904
false
[CIF] data_Ga2IrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00221739 _cell_length_b 3.00221739 _cell_length_c 6.59788243 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2IrW _chemical_formula_sum 'Ga2 Ir1 W1' _cell_volume 59.46875478 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50110870 1.50110870 1.73803761 1 Ga Ga1 1 1.50110870 1.50110870 4.85984482 1 Ir Ir2 1 0.00000000 0.00000000 3.29894122 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2IrW
P4/mmm
123
tetragonal
4/mmm
14,394.329822
false
[CIF] data_ReBi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63706109 _cell_length_b 4.68814494 _cell_length_c 4.88400567 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReBi2Pt _chemical_formula_sum 'Re1 Bi2 Pt1' _cell_volume 83.27752034 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81853055 0.00000000 2.44200284 1 Bi Bi1 1 1.81853055 2.34407247 0.00000000 1 Pt Pt2 1 0.00000000 2.34407247 2.44200284 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2PtRe
Pmmm
47
orthorhombic
mmm
15,936.939915
false
[CIF] data_Cs2UHg2Se5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.45064700 _cell_length_b 4.37681400 _cell_length_c 16.92049871 _cell_angle_alpha 90.00000000 _cell_angle_beta 114.56626476 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2UHg2Se5 _chemical_formula_sum 'Cs4 U2 Hg4 Se10' _cell_volume 703.89533175 _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 Cs Cs0 1 -4.24337644 3.00456464 14.55519619 1 Cs Cs1 1 4.14209494 3.00456464 8.52811331 1 Cs Cs2 1 -0.72606694 1.37224936 6.86075969 1 Cs Cs3 1 7.65940444 1.37224936 0.83367681 1 U U4 1 -0.05064075 3.47762382 11.54165475 1 U U5 1 3.46666875 0.89919018 3.84721825 1 Hg Hg6 1 -3.16578701 1.63080527 10.81519222 1 Hg Hg7 1 3.06450551 1.63080527 12.26811728 1 Hg Hg8 1 0.35152249 2.74600873 3.12075572 1 Hg Hg9 1 6.58181501 2.74600873 4.57368078 1 Se Se10 1 1.96724540 3.58547290 13.57764881 1 Se Se11 1 2.24757380 3.08295338 5.28484677 1 Se Se12 1 1.16845420 1.29386062 10.10402623 1 Se Se13 1 1.44878260 0.79134110 1.81122419 1 Se Se14 1 5.48455490 0.79134110 5.88321231 1 Se Se15 1 4.68576370 3.08295338 2.40958973 1 Se Se16 1 -5.27596425 0.35028518 11.54165475 1 Se Se17 1 -1.26973570 1.29386062 12.97928327 1 Se Se18 1 -2.06852690 3.58547290 9.50566069 1 Se Se19 1 -1.75865475 4.02652882 3.84721825 1 [/CIF]
Cs4Hg4Se10U2
P2/c
13
monoclinic
2/m
6,132.734465
false
[CIF] data_HfGePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34160000 _cell_length_b 4.34160000 _cell_length_c 4.34160000 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGePd _chemical_formula_sum 'Hf1 Ge1 Pd1' _cell_volume 57.86746097 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.06997480 3.06997480 3.06997480 1 Pd Pd2 1 1.53498740 1.53498740 1.53498740 1 [/CIF]
GeHfPd
F-43m
216
cubic
-43m
10,260.096665
false
[CIF] data_LaNiSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07903397 _cell_length_b 5.07903397 _cell_length_c 5.07903397 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNiSb3 _chemical_formula_sum 'La1 Ni1 Sb3' _cell_volume 131.02173695 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.53951699 0.00000000 1 Sb Sb1 1 0.00000000 0.00000000 2.53951699 1 Sb Sb2 1 2.53951699 0.00000000 0.00000000 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 La La4 1 2.53951699 2.53951699 2.53951699 1 [/CIF]
LaNiSb3
Pm-3m
221
cubic
m-3m
7,133.79608
false
[CIF] data_ZnMoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11823153 _cell_length_b 4.11823153 _cell_length_c 4.11823153 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnMoRu _chemical_formula_sum 'Zn1 Mo1 Ru1' _cell_volume 49.38752693 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45601472 1.45601472 1.45601472 1 Ru Ru1 1 4.36804416 4.36804416 4.36804416 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoRuZn
F-43m
216
cubic
-43m
8,822.917111
false
[CIF] data_YCrW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57439129 _cell_length_b 4.57439129 _cell_length_c 4.57439129 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCrW2 _chemical_formula_sum 'Y1 Cr1 W2' _cell_volume 67.68383141 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 1.61729155 1.61729155 1.61729155 1 W W2 1 4.85187465 4.85187465 4.85187465 1 Y Y3 1 3.23458310 3.23458310 3.23458310 1 [/CIF]
CrW2Y
Fm-3m
225
cubic
m-3m
12,477.428936
false
[CIF] data_Re2SiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90945597 _cell_length_b 3.82399924 _cell_length_c 5.53570154 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2SiAu _chemical_formula_sum 'Re2 Si1 Au1' _cell_volume 61.58887247 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45472798 1.91199962 4.07817131 1 Re Re1 1 0.00000000 0.00000000 0.16828511 1 Re Re2 1 1.45472798 1.91199962 1.31251694 1 Si Si3 1 0.00000000 0.00000000 2.74457896 1 [/CIF]
AuRe2Si
Pmm2
25
orthorhombic
mm2
16,108.685038
false
[CIF] data_TiInRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40863212 _cell_length_b 4.40863212 _cell_length_c 4.40863212 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiInRh _chemical_formula_sum 'Ti1 In1 Rh1' _cell_volume 60.58939061 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.67606051 4.67606051 4.67606051 1 Rh Rh1 1 3.11737367 3.11737367 3.11737367 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InRhTi
F-43m
216
cubic
-43m
7,278.888211
false
[CIF] data_ReBi2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88638670 _cell_length_b 4.88638670 _cell_length_c 4.88638670 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReBi2Ru _chemical_formula_sum 'Re1 Bi2 Ru1' _cell_volume 82.49896530 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72759859 1.72759859 1.72759859 1 Bi Bi1 1 3.45519717 3.45519717 3.45519717 1 Re Re2 1 5.18279576 5.18279576 5.18279576 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2ReRu
F-43m
216
cubic
-43m
14,195.025525
false
[CIF] data_SrBiOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42946715 _cell_length_b 4.42946715 _cell_length_c 4.17563222 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBiOs2 _chemical_formula_sum 'Sr1 Bi1 Os2' _cell_volume 81.92665257 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.21473357 2.21473357 0.00000000 1 Os Os1 1 2.21473357 0.00000000 2.08781611 1 Os Os2 1 0.00000000 2.21473357 2.08781611 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiOs2Sr
P4/mmm
123
tetragonal
4/mmm
13,723.070691
false
[CIF] data_CrSiNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99160412 _cell_length_b 3.99160412 _cell_length_c 3.99160412 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrSiNi2 _chemical_formula_sum 'Cr1 Si1 Ni2' _cell_volume 44.97046604 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.41124517 1.41124517 1.41124517 1 Ni Ni1 1 4.23373551 4.23373551 4.23373551 1 Ni Ni2 1 2.82249034 2.82249034 2.82249034 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrNi2Si
F-43m
216
cubic
-43m
7,291.540904
false
[CIF] data_Sc4Ta3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56487723 _cell_length_b 5.56487723 _cell_length_c 5.69578060 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4Ta3 _chemical_formula_sum 'Sc4 Ta3' _cell_volume 152.75486792 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.26005595 1 Sc Sc1 1 0.00000000 0.00000000 1.43572465 1 Sc Sc2 1 0.00000000 3.21288337 0.00000000 1 Sc Sc3 1 2.78243862 1.60644168 0.00000000 1 Ta Ta4 1 2.78243862 0.00000000 2.84789030 1 Ta Ta5 1 -1.39121931 2.40966253 2.84789030 1 Ta Ta6 1 1.39121931 2.40966253 2.84789030 1 [/CIF]
Sc4Ta3
P6/mmm
191
hexagonal
6/mmm
7,855.836483
false
[CIF] data_ScCdCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52844755 _cell_length_b 4.52844755 _cell_length_c 4.52844755 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCdCu _chemical_formula_sum 'Sc1 Cd1 Cu1' _cell_volume 65.66486076 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60104798 1.60104798 1.60104798 1 Cu Cu1 1 3.20209597 3.20209597 3.20209597 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdCuSc
F-43m
216
cubic
-43m
5,586.466132
false
[CIF] data_LaCo2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37807572 _cell_length_b 3.37807572 _cell_length_c 6.18154275 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCo2Au _chemical_formula_sum 'La1 Co2 Au1' _cell_volume 70.54002957 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09077138 1 Co Co1 1 1.68903786 1.68903786 4.29652190 1 Co Co2 1 1.68903786 1.68903786 1.88502085 1 La La3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCo2La
P4/mmm
123
tetragonal
4/mmm
10,681.190991
false
[CIF] data_KTcW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50523790 _cell_length_b 4.50523790 _cell_length_c 4.50523790 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTcW _chemical_formula_sum 'K1 Tc1 W1' _cell_volume 64.66037053 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 4.77852641 4.77852641 4.77852641 1 W W2 1 3.18568427 3.18568427 3.18568427 1 [/CIF]
KTcW
F-43m
216
cubic
-43m
8,265.269148
false
[CIF] data_TiMnVPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59501054 _cell_length_b 4.59501054 _cell_length_c 4.59501054 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMnVPb _chemical_formula_sum 'Ti1 Mn1 V1 Pb1' _cell_volume 68.60322575 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.87374467 4.87374467 4.87374467 1 Pb Pb1 1 1.62458156 1.62458156 1.62458156 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 3.24916311 3.24916311 3.24916311 1 [/CIF]
MnPbTiV
F-43m
216
cubic
-43m
8,736.700532
false
[CIF] data_CuSnB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13702884 _cell_length_b 3.13702884 _cell_length_c 6.94948241 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.86675933 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSnB2 _chemical_formula_sum 'Cu1 Sn1 B2' _cell_volume 59.30641099 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.02352886 1 B B1 1 1.57167224 0.00000000 5.77381943 1 Cu Cu2 1 0.00000000 0.00000000 3.96333569 1 Sn Sn3 1 1.57167224 0.00000000 1.61302205 1 [/CIF]
B2CuSn
Cmm2
35
orthorhombic
mm2
5,708.444975
false
[CIF] data_Mn2CdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43453357 _cell_length_b 4.43453357 _cell_length_c 4.43453357 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CdW _chemical_formula_sum 'Mn2 Cd1 W1' _cell_volume 61.66359540 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.13568876 3.13568876 3.13568876 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 1.56784438 1.56784438 1.56784438 1 W W3 1 4.70353314 4.70353314 4.70353314 1 [/CIF]
CdMn2W
F-43m
216
cubic
-43m
10,936.597105
false
[CIF] data_Te2PtSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00870979 _cell_length_b 5.00870979 _cell_length_c 5.00870979 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te2PtSe _chemical_formula_sum 'Te2 Pt1 Se1' _cell_volume 88.85105929 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.31253899 5.31253899 5.31253899 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.77084633 1.77084633 1.77084633 1 Te Te3 1 3.54169266 3.54169266 3.54169266 1 [/CIF]
PtSeTe2
F-43m
216
cubic
-43m
9,891.050762
false
[CIF] data_GaSiHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26703136 _cell_length_b 6.26703136 _cell_length_c 6.26703136 _cell_angle_alpha 152.25186157 _cell_angle_beta 129.63126416 _cell_angle_gamma 58.47657615 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSiHg2 _chemical_formula_sum 'Ga1 Si1 Hg2' _cell_volume 87.66375945 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 5.46858567 1 Hg Hg1 1 0.00000000 2.66682496 2.91257124 1 Hg Hg2 1 1.50276326 0.00000000 2.55601443 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaHg2Si
Immm
71
orthorhombic
mmm
9,451.90924
false
[CIF] data_TiAlCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23395146 _cell_length_b 5.23395146 _cell_length_c 5.83925498 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 134.44699853 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAlCu2 _chemical_formula_sum 'Ti2 Al2 Cu4' _cell_volume 114.19663380 _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 Al Al0 1 2.02625868 -2.89904065 1.45981374 1 Al Al1 1 2.02625868 2.89904065 4.37944123 1 Cu Cu2 1 2.02625868 1.17288380 2.67047839 1 Cu Cu3 1 2.02625868 -1.17288380 5.59010588 1 Cu Cu4 1 2.02625868 1.17288380 0.24914910 1 Cu Cu5 1 2.02625868 -1.17288380 3.16877659 1 Ti Ti6 1 2.02625868 4.02879563 1.45981374 1 Ti Ti7 1 2.02625868 -4.02879563 4.37944123 1 [/CIF]
Al2Cu4Ti2
Cmcm
63
orthorhombic
mmm
5,872.855308
false
[CIF] data_InBiAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99229890 _cell_length_b 4.99229890 _cell_length_c 4.99229890 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InBiAu2 _chemical_formula_sum 'In1 Bi1 Au2' _cell_volume 87.98056403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 5.29513261 5.29513261 5.29513261 1 Au Au1 1 1.76504420 1.76504420 1.76504420 1 Bi Bi2 1 3.53008841 3.53008841 3.53008841 1 In In3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2BiIn
Fm-3m
225
cubic
m-3m
13,546.415295
false