Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files
xet
Community
1
cif
stringlengths
674
4.09k
formula
stringlengths
1
20
spacegroup
stringlengths
2
10
spacegroup_number
int64
1
230
crystal_system
stringclasses
7 values
pointgroup
stringlengths
1
5
density
float64
91.6
41.4k
is_longer_than_allowed
bool
2 classes
[CIF] data_CrHgSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86512943 _cell_length_b 3.66384923 _cell_length_c 5.69098963 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.57735518 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrHgSe2 _chemical_formula_sum 'Cr1 Hg1 Se2' _cell_volume 96.70612468 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 -0.85931992 0.00000000 2.71263894 1 Se Se2 1 1.49555718 1.83192462 0.85263358 1 Se Se3 1 1.65093242 1.83192462 4.57264430 1 [/CIF]
CrHgSe2
P2/m
10
monoclinic
2/m
7,048.792601
false
[CIF] data_KScZnFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77233271 _cell_length_b 4.77233271 _cell_length_c 4.77233271 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KScZnFe _chemical_formula_sum 'K1 Sc1 Zn1 Fe1' _cell_volume 76.85588754 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68727441 1.68727441 1.68727441 1 K K1 1 0.00000000 -0.00000000 0.00000000 1 Sc Sc2 1 5.06182323 5.06182323 5.06182323 1 Zn Zn3 1 3.37454882 3.37454882 3.37454882 1 [/CIF]
FeKScZn
F-43m
216
cubic
-43m
4,435.237976
false
[CIF] data_SrOsPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94604823 _cell_length_b 4.94604823 _cell_length_c 5.74461847 _cell_angle_alpha 98.72219518 _cell_angle_beta 98.72219518 _cell_angle_gamma 33.91163304 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrOsPt2 _chemical_formula_sum 'Sr1 Os1 Pt2' _cell_volume 77.41363046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 6.85848247 -0.00000000 0.91387589 1 Pt Pt1 1 0.00154429 0.00000000 0.21686401 1 Pt Pt2 1 1.72046423 -0.00000000 4.46726470 1 Sr Sr3 1 4.24655157 0.00000000 2.90994759 1 [/CIF]
OsPt2Sr
Cm
8
monoclinic
m
14,329.13015
false
[CIF] data_CaIn2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.16562117 _cell_length_b 8.16562117 _cell_length_c 8.16562117 _cell_angle_alpha 33.40820333 _cell_angle_beta 33.40820333 _cell_angle_gamma 33.40820333 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaIn2Sb _chemical_formula_sum 'Ca1 In2 Sb1' _cell_volume 146.98640602 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 -0.00000000 0.00000000 17.48609423 1 In In2 1 0.00000000 0.00000000 5.62220142 1 Sb Sb3 1 0.00000000 -0.00000000 11.55414783 1 [/CIF]
CaIn2Sb
R-3m
166
trigonal
-3m
4,422.571366
false
[CIF] data_Ti2BiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19856029 _cell_length_b 3.19856029 _cell_length_c 7.48047702 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2BiOs _chemical_formula_sum 'Ti2 Bi1 Os1' _cell_volume 76.53117415 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59928015 1.59928015 3.85249257 1 Os Os1 1 0.00000000 0.00000000 6.00030045 1 Ti Ti2 1 1.59928015 1.59928015 7.29550786 1 Ti Ti3 1 0.00000000 0.00000000 1.55289160 1 [/CIF]
BiOsTi2
P4mm
99
tetragonal
4mm
10,739.188055
false
[CIF] data_BaZnNiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89764999 _cell_length_b 4.89764999 _cell_length_c 4.89764999 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZnNiMo _chemical_formula_sum 'Ba1 Zn1 Ni1 Mo1' _cell_volume 83.07077028 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.19474228 5.19474228 5.19474228 1 Mo Mo1 1 1.73158076 1.73158076 1.73158076 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 3.46316152 3.46316152 3.46316152 1 [/CIF]
BaMoNiZn
F-43m
216
cubic
-43m
7,143.438096
false
[CIF] data_EuTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93361700 _cell_length_b 3.93361700 _cell_length_c 3.93361700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuTl _chemical_formula_sum 'Eu1 Tl1' _cell_volume 60.86620390 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Eu Eu0 1 0.00000000 0.00000000 0.00000000 1 Tl Tl1 1 1.96680850 1.96680850 1.96680850 1 [/CIF]
EuTl
Pm-3m
221
cubic
m-3m
9,721.792637
false
[CIF] data_AlP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25474344 _cell_length_b 4.25474344 _cell_length_c 19.03590916 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlP _chemical_formula_sum 'Al6 P6' _cell_volume 298.43586286 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 5.55716362 1 Al Al1 1 0.00000000 0.00000000 13.47874554 1 Al Al2 1 0.00000000 2.45647727 11.92220380 1 Al Al3 1 0.00000000 2.45647727 18.26795547 1 Al Al4 1 2.12737172 1.22823864 0.76795369 1 Al Al5 1 2.12737172 1.22823864 7.11370536 1 P P6 1 0.00000000 0.00000000 1.11593544 1 P P7 1 0.00000000 0.00000000 17.91997372 1 P P8 1 0.00000000 2.45647727 7.45276060 1 P P9 1 0.00000000 2.45647727 5.21852089 1 P P10 1 2.12737172 1.22823864 13.81738827 1 P P11 1 2.12737172 1.22823864 11.58314856 1 [/CIF]
Al6P6
P-3m1
164
trigonal
-3m
1,934.828607
false
[CIF] data_LaVTcAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75793589 _cell_length_b 4.75793589 _cell_length_c 4.75793589 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaVTcAg _chemical_formula_sum 'La1 V1 Tc1 Ag1' _cell_volume 76.16242422 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.36436873 3.36436873 3.36436873 1 La La1 1 1.68218437 1.68218436 1.68218437 1 Tc Tc2 1 5.04655310 5.04655310 5.04655309 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgLaTcV
F-43m
216
cubic
-43m
8,647.378104
false
[CIF] data_Ba2MnBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96390289 _cell_length_b 5.96390289 _cell_length_c 5.96390289 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2MnBi _chemical_formula_sum 'Ba2 Mn1 Bi1' _cell_volume 149.99496888 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 6.32567427 6.32567427 6.32567427 1 Ba Ba1 1 2.10855809 2.10855809 2.10855809 1 Bi Bi2 1 4.21711618 4.21711618 4.21711618 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2BiMn
Fm-3m
225
cubic
m-3m
5,962.337216
false
[CIF] data_HfNb2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09022731 _cell_length_b 3.59866609 _cell_length_c 6.55363545 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNb2Pd _chemical_formula_sum 'Hf1 Nb2 Pd1' _cell_volume 72.88098905 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.27681772 1 Nb Nb1 1 1.54511365 1.79933305 4.99196953 1 Nb Nb2 1 1.54511365 1.79933305 1.56166592 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfNb2Pd
Pmmm
47
orthorhombic
mmm
10,725.067576
false
[CIF] data_AlVReRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30986691 _cell_length_b 4.30986691 _cell_length_c 4.30986691 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlVReRu _chemical_formula_sum 'Al1 V1 Re1 Ru1' _cell_volume 56.60783960 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 3.04753612 3.04753612 3.04753612 1 Ru Ru2 1 1.52376806 1.52376806 1.52376806 1 V V3 1 4.57130418 4.57130418 4.57130418 1 [/CIF]
AlReRuV
F-43m
216
cubic
-43m
10,712.808252
false
[CIF] data_LaMgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78681567 _cell_length_b 4.78681567 _cell_length_c 4.78681567 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMgRh _chemical_formula_sum 'La1 Mg1 Rh1' _cell_volume 77.55773441 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.38478982 3.38478982 3.38478982 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 5.07718473 5.07718473 5.07718473 1 [/CIF]
LaMgRh
F-43m
216
cubic
-43m
5,697.638898
false
[CIF] data_Mg2ZnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29976237 _cell_length_b 5.37095649 _cell_length_c 5.37095649 _cell_angle_alpha 33.16783880 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2ZnIr _chemical_formula_sum 'Mg2 Zn1 Ir1' _cell_volume 67.85927810 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.14988118 0.00000000 3.30972745 1 Mg Mg1 1 0.00000000 -0.00000000 9.38439329 1 Mg Mg2 1 2.14988118 -0.00000000 6.08486147 1 Zn Zn3 1 0.00000000 0.00000000 1.93244071 1 [/CIF]
IrMg2Zn
Amm2
38
orthorhombic
mm2
7,493.154387
false
[CIF] data_TbPm2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22195812 _cell_length_b 5.22195812 _cell_length_c 5.22195812 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbPm2Co _chemical_formula_sum 'Tb1 Pm2 Co1' _cell_volume 100.68972538 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pm Pm1 1 5.53872300 5.53872300 5.53872300 1 Pm Pm2 1 1.84624100 1.84624100 1.84624100 1 Tb Tb3 1 3.69248200 3.69248200 3.69248200 1 [/CIF]
CoPm2Tb
Fm-3m
225
cubic
m-3m
8,375.422131
false
[CIF] data_Re2OsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87989066 _cell_length_b 3.90173939 _cell_length_c 5.53788682 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2OsSe _chemical_formula_sum 'Re2 Os1 Se1' _cell_volume 62.22692394 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 1.43994533 1.95086969 4.37731487 1 Re Re1 1 0.00000000 0.00000000 5.36552336 1 Re Re2 1 1.43994533 1.95086969 1.54222173 1 Se Se3 1 0.00000000 0.00000000 2.55965709 1 [/CIF]
OsRe2Se
Pmm2
25
orthorhombic
mm2
17,121.342979
false
[CIF] data_RbNa2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75667086 _cell_length_b 5.75667086 _cell_length_c 5.75667086 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbNa2Bi _chemical_formula_sum 'Rb1 Na2 Bi1' _cell_volume 134.89603949 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Na Na1 1 2.03529050 2.03529050 2.03529050 1 Na Na2 1 6.10587150 6.10587150 6.10587150 1 Bi Bi3 1 4.07058100 4.07058100 4.07058100 1 [/CIF]
BiNa2Rb
Fm-3m
225
cubic
m-3m
4,190.586776
false
[CIF] data_AlCuSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78113814 _cell_length_b 12.25535252 _cell_length_c 4.50104058 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCuSi _chemical_formula_sum 'Al4 Cu4 Si4' _cell_volume 208.57453337 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 1.27769158 1.75213118 1 Al Al1 1 1.89056907 4.84998468 2.74890940 1 Al Al2 1 1.89056907 7.40536784 2.74890940 1 Al Al3 1 0.00000000 10.97766094 1.75213118 1 Cu Cu4 1 0.00000000 4.91002745 4.40480370 1 Cu Cu5 1 1.89056907 1.21764881 0.09623688 1 Cu Cu6 1 1.89056907 11.03770371 0.09623688 1 Cu Cu7 1 0.00000000 7.34532507 4.40480370 1 Si Si8 1 0.00000000 9.67352047 3.84293921 1 Si Si9 1 1.89056907 8.70950831 0.65810137 1 Si Si10 1 1.89056907 3.54584421 0.65810137 1 Si Si11 1 0.00000000 2.58183205 3.84293921 1 [/CIF]
Al4Cu4Si4
Pmmn
59
orthorhombic
mmm
3,777.289225
false
[CIF] data_ZnGaRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76386314 _cell_length_b 2.76386314 _cell_length_c 8.39650804 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.49928244 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnGaRu2 _chemical_formula_sum 'Zn1 Ga1 Ru2' _cell_volume 57.89254206 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.19825402 1 Ru Ru1 1 1.47485213 0.00000000 6.24332700 1 Ru Ru2 1 1.47485213 0.00000000 2.15318104 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaRu2Zn
Cmmm
65
orthorhombic
mmm
9,673.183393
false
[CIF] data_LiCaBiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82739957 _cell_length_b 4.82739957 _cell_length_c 4.82739957 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCaBiRu _chemical_formula_sum 'Li1 Ca1 Bi1 Ru1' _cell_volume 79.54717187 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 5.12023045 5.12023045 5.12023046 1 Ca Ca1 1 1.70674349 1.70674349 1.70674349 1 Li Li2 1 0.00000000 -0.00000000 0.00000000 1 Ru Ru3 1 3.41348697 3.41348697 3.41348697 1 [/CIF]
BiCaLiRu
F-43m
216
cubic
-43m
7,453.787158
false
[CIF] data_TlBiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78938375 _cell_length_b 4.78938375 _cell_length_c 4.78938375 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlBiPd _chemical_formula_sum 'Tl1 Bi1 Pd1' _cell_volume 77.68262852 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69330286 1.69330287 1.69330287 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.07990860 5.07990860 5.07990859 1 [/CIF]
BiPdTl
F-43m
216
cubic
-43m
11,110.86425
false
[CIF] data_V4O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41679174 _cell_length_b 5.18995800 _cell_length_c 7.44387961 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.99508782 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V4O5F7 _chemical_formula_sum 'V4 O5 F7' _cell_volume 208.98334604 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy V V0 1 2.74604746 2.75476743 1.81413780 1 V V1 1 2.28179904 2.75476743 5.61957361 1 V V2 1 0.09451940 0.14858850 1.79286995 1 V V3 1 4.93332710 0.14858850 5.64084146 1 O O4 1 3.73260567 4.06004186 1.53289076 1 O O5 1 1.29524083 4.06004186 5.90082065 1 O O6 1 3.54906640 1.00811301 5.29101100 1 O O7 1 1.47878010 1.00811301 2.14270041 1 O O8 1 0.00000000 0.40282378 0.00000000 1 F F9 1 -0.19447262 4.73740923 3.71685570 1 F F10 1 4.03727741 3.60423380 5.92872680 1 F F11 1 0.99056909 3.60423380 1.50498461 1 F F12 1 2.51392325 3.06048190 3.71685570 1 F F13 1 2.70839587 2.02293145 0.00000000 1 F F14 1 4.18915065 1.47728521 2.25642133 1 F F15 1 0.83869585 1.47728521 5.17729008 1 [/CIF]
F7O5V4
P2
3
monoclinic
2
3,311.425026
false
[CIF] data_CaIr2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08251297 _cell_length_b 3.08251297 _cell_length_c 7.53669202 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaIr2Se _chemical_formula_sum 'Ca1 Ir2 Se1' _cell_volume 71.61278998 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 1.54125649 1.54125649 2.21796262 1 Ir Ir2 1 1.54125649 1.54125649 5.31872940 1 Se Se3 1 0.00000000 0.00000000 3.76834601 1 [/CIF]
CaIr2Se
P4/mmm
123
tetragonal
4/mmm
11,674.380027
false
[CIF] data_VNiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29046573 _cell_length_b 4.29046573 _cell_length_c 4.29046573 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VNiSn _chemical_formula_sum 'V1 Ni1 Sn1' _cell_volume 55.84680260 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 3.03381741 3.03381741 3.03381741 1 Sn Sn1 1 1.51690870 1.51690870 1.51690871 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NiSnV
F-43m
216
cubic
-43m
6,789.567343
false
[CIF] data_Cr2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02273026 _cell_length_b 5.75172784 _cell_length_c 2.22523988 _cell_angle_alpha 86.05572578 _cell_angle_beta 72.31506628 _cell_angle_gamma 21.62920795 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2Br _chemical_formula_sum 'Cr2 Br1' _cell_volume 21.48701522 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 0.93829257 2.01774616 3.74157647 1 Cr Cr2 1 0.93829257 2.01774616 7.60778125 1 [/CIF]
BrCr2
Fmmm
69
orthorhombic
mmm
14,211.69116
false
[CIF] data_BaAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22739951 _cell_length_b 6.22739951 _cell_length_c 6.22739951 _cell_angle_alpha 143.39477738 _cell_angle_beta 143.39477738 _cell_angle_gamma 52.73328009 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAg2 _chemical_formula_sum 'Ba1 Ag2' _cell_volume 85.35559633 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.80193220 1 Ag Ag1 1 0.00000000 -0.00000000 3.35720022 1 Ba Ba2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2Ba
I4/mmm
139
tetragonal
4/mmm
6,868.625175
false
[CIF] data_V2SbRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79675948 _cell_length_b 4.79675948 _cell_length_c 4.63898979 _cell_angle_alpha 106.49044594 _cell_angle_beta 106.49044594 _cell_angle_gamma 37.47227200 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2SbRu _chemical_formula_sum 'V2 Sb1 Ru1' _cell_volume 61.95129550 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 3.92942802 -0.00000000 2.36111155 1 Sb Sb1 1 6.47384963 -0.00000000 1.08006341 1 V V2 1 7.58164328 -0.00000000 4.30139975 1 V V3 1 1.25170560 -0.00000000 3.32166130 1 [/CIF]
RuSbV2
Cm
8
monoclinic
m
8,703.589127
false
[CIF] data_TiZnCuRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29452718 _cell_length_b 4.29452718 _cell_length_c 4.29452718 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiZnCuRu _chemical_formula_sum 'Ti1 Zn1 Cu1 Ru1' _cell_volume 56.00555031 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.55503393 4.55503393 4.55503393 1 Ru Ru1 1 1.51834465 1.51834465 1.51834464 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 3.03668929 3.03668929 3.03668929 1 [/CIF]
CuRuTiZn
F-43m
216
cubic
-43m
8,238.511436
false
[CIF] data_CdPdAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05749136 _cell_length_b 3.05749136 _cell_length_c 7.69251673 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdPdAu2 _chemical_formula_sum 'Cd1 Pd1 Au2' _cell_volume 71.91159591 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52874568 1.52874568 1.84371226 1 Au Au1 1 1.52874568 1.52874568 5.84880447 1 Cd Cd2 1 0.00000000 0.00000000 3.84625837 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2CdPd
P4/mmm
123
tetragonal
4/mmm
14,149.648934
false
[CIF] data_TcHg2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89802737 _cell_length_b 2.89802737 _cell_length_c 8.64169426 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcHg2Ir _chemical_formula_sum 'Tc1 Hg2 Ir1' _cell_volume 72.57781053 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.44901368 1.44901368 8.37743911 1 Hg Hg1 1 0.00000000 0.00000000 2.40332128 1 Ir Ir2 1 1.44901368 1.44901368 4.60348679 1 Tc Tc3 1 0.00000000 0.00000000 6.21998846 1 [/CIF]
Hg2IrTc
P4mm
99
tetragonal
4mm
15,839.503852
false
[CIF] data_HfIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23029620 _cell_length_b 5.23029620 _cell_length_c 5.23029620 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfIr2 _chemical_formula_sum 'Hf2 Ir4' _cell_volume 101.17281993 _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 Hf Hf0 1 1.84918896 1.84918896 1.84918896 1 Hf Hf1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 4.62297239 2.77378343 2.77378343 1 Ir Ir3 1 2.77378343 4.62297239 2.77378343 1 Ir Ir4 1 2.77378343 2.77378343 4.62297239 1 Ir Ir5 1 4.62297239 4.62297239 4.62297239 1 [/CIF]
Hf2Ir4
Fd-3m
227
cubic
m-3m
18,478.427193
false
[CIF] data_KNbAlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70900905 _cell_length_b 4.70900905 _cell_length_c 4.70900905 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNbAlPt _chemical_formula_sum 'K1 Nb1 Al1 Pt1' _cell_volume 73.83692072 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 4.99465835 4.99465835 4.99465835 1 Nb Nb2 1 3.32977223 3.32977223 3.32977223 1 Pt Pt3 1 1.66488612 1.66488612 1.66488611 1 [/CIF]
AlKNbPt
F-43m
216
cubic
-43m
7,962.78372
false
[CIF] data_AcMo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34700221 _cell_length_b 4.34700221 _cell_length_c 4.34700221 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcMo3 _chemical_formula_sum 'Ac1 Mo3' _cell_volume 82.14281521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ac Ac0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 2.17350110 2.17350110 0.00000000 1 Mo Mo2 1 2.17350110 0.00000000 2.17350110 1 Mo Mo3 1 0.00000000 2.17350110 2.17350110 1 [/CIF]
AcMo3
Pm-3m
221
cubic
m-3m
10,408.437768
false
[CIF] data_MgZrCuHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74641724 _cell_length_b 4.74641724 _cell_length_c 4.74641724 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZrCuHg _chemical_formula_sum 'Mg1 Zr1 Cu1 Hg1' _cell_volume 75.61060999 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.67811191 1.67811191 1.67811191 1 Hg Hg1 1 5.03433573 5.03433573 5.03433573 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.35622382 3.35622382 3.35622382 1 [/CIF]
CuHgMgZr
F-43m
216
cubic
-43m
8,338.096529
false
[CIF] data_Nb2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.61644849 _cell_length_b 13.61644849 _cell_length_c 13.61644849 _cell_angle_alpha 162.41037027 _cell_angle_beta 162.41037027 _cell_angle_gamma 24.97518229 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2Sn _chemical_formula_sum 'Nb8 Sn4' _cell_volume 230.48805708 _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 Nb Nb0 1 0.00000000 2.08190600 0.00108761 1 Nb Nb1 1 -0.00000000 2.08190600 13.29323465 1 Nb Nb2 1 0.00000000 0.00000000 19.94257100 1 Nb Nb3 1 0.00000000 0.00000000 6.64607352 1 Nb Nb4 1 2.08190600 0.00000000 8.92311002 1 Nb Nb5 1 2.08190600 -0.00000000 4.37121224 1 Nb Nb6 1 -0.00000000 0.00000000 15.57027115 1 Nb Nb7 1 0.00000000 -0.00000000 11.01837337 1 Sn Sn8 1 0.00000000 2.08190600 4.56289537 1 Sn Sn9 1 -0.00000000 2.08190600 8.73142689 1 Sn Sn10 1 -0.00000000 0.00000000 24.50437876 1 Sn Sn11 1 0.00000000 -0.00000000 2.08426576 1 [/CIF]
Nb8Sn4
I4_1/amd
141
tetragonal
4/mmm
8,775.672736
false
[CIF] data_CsNa2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80165109 _cell_length_b 5.80165109 _cell_length_c 5.80165109 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsNa2Fe _chemical_formula_sum 'Cs1 Na2 Fe1' _cell_volume 138.08287575 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.10238683 4.10238683 4.10238683 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 2.05119341 2.05119341 2.05119341 1 Na Na3 1 6.15358024 6.15358024 6.15358024 1 [/CIF]
CsFeNa2
Fm-3m
225
cubic
m-3m
2,822.785354
false
[CIF] data_HfMnSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77782340 _cell_length_b 4.77782340 _cell_length_c 3.37502633 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMnSn2 _chemical_formula_sum 'Hf1 Mn1 Sn2' _cell_volume 77.04373904 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 2.38891170 2.38891170 0.00000000 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 0.00000000 2.38891170 1.68751316 1 Sn Sn3 1 2.38891170 0.00000000 1.68751316 1 [/CIF]
HfMnSn2
P4/mmm
123
tetragonal
4/mmm
10,148.28178
false
[CIF] data_K4YBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.77849736 _cell_length_b 7.77849736 _cell_length_c 7.77849736 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K4YBr _chemical_formula_sum 'K4 Y1 Br1' _cell_volume 332.79142546 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 K K1 1 6.88007316 6.88007316 4.12038330 1 K K2 1 6.88007316 4.12038330 6.88007316 1 K K3 1 4.12038330 6.88007316 6.88007316 1 K K4 1 4.12038330 4.12038330 4.12038330 1 Y Y5 1 8.25034234 8.25034234 8.25034234 1 [/CIF]
BrK4Y
F-43m
216
cubic
-43m
1,622.675129
false
[CIF] data_MgPa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49434567 _cell_length_b 6.49434567 _cell_length_c 5.35502600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgPa3 _chemical_formula_sum 'Mg2 Pa6' _cell_volume 195.59737250 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 -0.00000000 3.74951222 1.33875650 1 Mg Mg1 1 3.24717283 1.87475611 4.01626950 1 Pa Pa2 1 4.89930459 0.92089740 1.33875650 1 Pa Pa3 1 -0.00000000 1.84179479 4.01626950 1 Pa Pa4 1 1.65213175 4.70337093 4.01626950 1 Pa Pa5 1 -1.65213175 4.70337093 4.01626950 1 Pa Pa6 1 3.24717283 3.78247353 1.33875650 1 Pa Pa7 1 1.59504108 0.92089740 1.33875650 1 [/CIF]
Mg2Pa6
P6_3/mmc
194
hexagonal
6/mmm
12,181.060309
false
[CIF] data_Y2TiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87500290 _cell_length_b 4.87500290 _cell_length_c 3.90814772 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2TiAs _chemical_formula_sum 'Y2 Ti1 As1' _cell_volume 92.87968366 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.43750145 2.43750145 0.00000000 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 0.00000000 2.43750145 1.95407386 1 Y Y3 1 2.43750145 0.00000000 1.95407386 1 [/CIF]
AsTiY2
P4/mmm
123
tetragonal
4/mmm
5,374.248941
false
[CIF] data_Cd2FeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48529298 _cell_length_b 5.48529298 _cell_length_c 2.87764021 _cell_angle_alpha 99.97534657 _cell_angle_beta 99.97534657 _cell_angle_gamma 116.85169162 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2FeAu _chemical_formula_sum 'Cd2 Fe1 Au1' _cell_volume 72.89825283 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.87210842 -0.00000000 0.00000000 1 Cd Cd1 1 0.96004583 -2.33663392 1.35779944 1 Cd Cd2 1 0.96004583 2.33663392 1.35779944 1 Fe Fe3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCd2Fe
C2/m
12
monoclinic
2/m
10,879.94801
false
[CIF] data_NaZn2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71494885 _cell_length_b 2.71494885 _cell_length_c 9.82614806 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.37781860 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZn2W _chemical_formula_sum 'Na1 Zn2 W1' _cell_volume 68.32505737 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 4.95945021 1 W W1 1 1.56928277 0.00000000 2.19838426 1 Zn Zn2 1 0.00000000 0.00000000 9.81144608 1 Zn Zn3 1 1.56928277 0.00000000 7.59608961 1 [/CIF]
NaWZn2
Cmm2
35
orthorhombic
mm2
8,204.618071
false
[CIF] data_NaLiMgHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95819212 _cell_length_b 4.95819212 _cell_length_c 4.95819212 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiMgHg _chemical_formula_sum 'Na1 Li1 Mg1 Hg1' _cell_volume 86.18963755 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75298563 1.75298563 1.75298564 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 3.50597127 3.50597127 3.50597127 1 Na Na3 1 5.25895691 5.25895691 5.25895691 1 [/CIF]
HgLiMgNa
F-43m
216
cubic
-43m
4,909.501387
false
[CIF] data_NaCoHg4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81646680 _cell_length_b 5.81646680 _cell_length_c 5.81646680 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCoHg4 _chemical_formula_sum 'Na1 Co1 Hg4' _cell_volume 139.14344885 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.05643156 2.05643156 2.05643156 1 Hg Hg1 1 3.08568044 3.08568044 5.14004580 1 Hg Hg2 1 3.08568044 5.14004580 3.08568044 1 Hg Hg3 1 5.14004580 3.08568044 3.08568044 1 Hg Hg4 1 5.14004580 5.14004580 5.14004580 1 Na Na5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoHg4Na
F-43m
216
cubic
-43m
10,553.040191
false
[CIF] data_CeP4NO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39775323 _cell_length_b 7.39775323 _cell_length_c 10.56213387 _cell_angle_alpha 100.88772779 _cell_angle_beta 100.88772779 _cell_angle_gamma 115.04917682 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeP4NO12 _chemical_formula_sum 'Ce2 P8 N2 O24' _cell_volume 490.19274517 _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 Ce Ce0 1 3.04323925 4.78913473 2.47175550 1 Ce Ce1 1 1.18545375 -4.78913473 7.41526650 1 P P2 1 4.05689141 -0.28294400 4.36327134 1 P P3 1 0.17180159 0.28294400 5.52375066 1 P P4 1 2.02958709 -0.28294400 0.58023966 1 P P5 1 2.19910591 0.28294400 9.30678234 1 P P6 1 3.62665285 2.13842806 0.00799860 1 P P7 1 0.60204015 -2.13842806 9.87902340 1 P P8 1 2.45982565 2.13842806 4.93551240 1 P P9 1 1.76886735 -2.13842806 4.95150960 1 N N10 1 3.04323925 -3.95231648 2.47175550 1 N N11 1 1.18545375 3.95231648 7.41526650 1 O O12 1 -0.37908687 0.08035792 4.13792633 1 O O13 1 4.60777987 -0.08035792 5.74909567 1 O O14 1 6.46556537 0.08035792 0.80558467 1 O O15 1 -2.23687237 -0.08035792 9.08143733 1 O O16 1 5.26230775 -2.45311331 1.11389167 1 O O17 1 -1.03361475 2.45311331 8.77313033 1 O O18 1 0.82417075 -2.45311331 3.82961933 1 O O19 1 3.40452225 2.45311331 6.05740267 1 O O20 1 3.09238480 0.89283040 0.88907068 1 O O21 1 1.13630820 -0.89283040 8.99795132 1 O O22 1 2.99409370 0.89283040 4.05444032 1 O O23 1 1.23459930 -0.89283040 5.83258168 1 O O24 1 2.08506417 3.21942180 3.95283140 1 O O25 1 2.14362883 -3.21942180 5.93419060 1 O O26 1 4.00141433 3.21942180 0.99067960 1 O O27 1 0.22727867 -3.21942180 8.89634240 1 O O28 1 5.00506688 -0.38956990 3.21062254 1 O O29 1 -0.77637388 0.38956990 6.67639946 1 O O30 1 1.08141162 -0.38956990 1.73288846 1 O O31 1 3.14728138 0.38956990 8.15413354 1 O O32 1 3.13459131 -1.59002084 4.30285175 1 O O33 1 1.09410169 1.59002084 5.58417025 1 O O34 1 2.95188719 -1.59002084 0.64065925 1 O O35 1 1.27680581 1.59002084 9.24636275 1 [/CIF]
Ce2N2O24P8
C2/c
15
monoclinic
2/m
3,184.34283
false
[CIF] data_Ga2CuOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79951418 _cell_length_b 3.97933429 _cell_length_c 5.19744883 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.79785256 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2CuOs _chemical_formula_sum 'Ga2 Cu1 Os1' _cell_volume 57.77348125 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 2.57186174 1.98966715 1.34413693 1 Ga Ga2 1 -0.11660840 1.98966715 3.84189806 1 Os Os3 1 1.22762667 0.00000000 2.59301749 1 [/CIF]
CuGa2Os
P2/m
10
monoclinic
2/m
11,302.079755
false
[CIF] data_Mg2NiCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80605105 _cell_length_b 4.80605105 _cell_length_c 3.02813504 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2NiCl _chemical_formula_sum 'Mg2 Ni1 Cl1' _cell_volume 69.94424680 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 0.00000000 2.40302552 1.51406752 1 Mg Mg2 1 2.40302552 0.00000000 1.51406752 1 Ni Ni3 1 2.40302552 2.40302552 0.00000000 1 [/CIF]
ClMg2Ni
P4/mmm
123
tetragonal
4/mmm
3,389.1648
false
[CIF] data_Al2MoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07036520 _cell_length_b 3.07036520 _cell_length_c 6.30052294 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2MoPd _chemical_formula_sum 'Al2 Mo1 Pd1' _cell_volume 59.39592734 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53518260 1.53518260 4.70233355 1 Al Al1 1 1.53518260 1.53518260 1.59818939 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 3.15026147 1 [/CIF]
Al2MoPd
P4/mmm
123
tetragonal
4/mmm
7,166.614164
false
[CIF] data_Li2HgP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.81396887 _cell_length_b 8.81396887 _cell_length_c 8.81396887 _cell_angle_alpha 20.07112862 _cell_angle_beta 20.07112862 _cell_angle_gamma 20.07112862 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2HgP _chemical_formula_sum 'Li2 Hg1 P1' _cell_volume 70.55419327 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.95053982 1 Li Li1 1 0.00000000 0.00000000 19.09355042 1 Li Li2 1 0.00000000 0.00000000 6.80752922 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgLi2P
R-3m
166
trigonal
-3m
5,776.726486
false
[CIF] data_GaFe2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96754432 _cell_length_b 2.96754432 _cell_length_c 5.86493393 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaFe2Re _chemical_formula_sum 'Ga1 Fe2 Re1' _cell_volume 51.64848081 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.09053440 1 Fe Fe1 1 1.48377216 1.48377216 1.40826981 1 Ga Ga2 1 0.00000000 0.00000000 2.79714534 1 Re Re3 1 1.48377216 1.48377216 4.50145133 1 [/CIF]
Fe2GaRe
P4mm
99
tetragonal
4mm
11,819.270617
false
[CIF] data_Be2SbAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23787040 _cell_length_b 6.23787040 _cell_length_c 6.23787040 _cell_angle_alpha 33.19047952 _cell_angle_beta 33.19047952 _cell_angle_gamma 33.19047952 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2SbAs _chemical_formula_sum 'Be2 Sb1 As1' _cell_volume 64.74992115 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Be Be1 1 0.00000000 0.00000000 4.76628184 1 Be Be2 1 -0.00000000 -0.00000000 12.90036680 1 Sb Sb3 1 -0.00000000 -0.00000000 8.83332432 1 [/CIF]
AsBe2Sb
R-3m
166
trigonal
-3m
5,499.361871
false
[CIF] data_KNiOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69102879 _cell_length_b 4.15469202 _cell_length_c 7.17179773 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.62367039 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNiOs2 _chemical_formula_sum 'K1 Ni1 Os2' _cell_volume 80.02322673 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.11274100 0.00000000 3.64988647 1 Ni Ni1 1 0.00779606 2.07734601 5.93020737 1 Os Os2 1 0.44065771 0.00000000 0.17511440 1 Os Os3 1 1.79543160 2.07734601 0.98098053 1 [/CIF]
KNiOs2
Pm
6
monoclinic
m
9,924.0641
false
[CIF] data_Li2GeB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63929903 _cell_length_b 4.63929903 _cell_length_c 4.63929903 _cell_angle_alpha 137.09801794 _cell_angle_beta 137.09801794 _cell_angle_gamma 62.28727334 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2GeB _chemical_formula_sum 'Li2 Ge1 B1' _cell_volume 45.71818854 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Ge Ge1 1 0.00000000 -0.00000000 3.97065283 1 Li Li2 1 0.00000000 1.69661598 1.98532642 1 Li Li3 1 1.69661598 -0.00000000 1.98532642 1 [/CIF]
BGeLi2
I4/mmm
139
tetragonal
4/mmm
3,535.250501
false
[CIF] data_Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90248454 _cell_length_b 2.90248454 _cell_length_c 2.90248454 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti _chemical_formula_sum Ti1 _cell_volume 17.28999013 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ti3
Fm-3m
225
cubic
m-3m
4,597.174856
false
[CIF] data_CaH2F4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03623858 _cell_length_b 5.71006060 _cell_length_c 5.66539178 _cell_angle_alpha 76.41891866 _cell_angle_beta 52.07634934 _cell_angle_gamma 51.50473199 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaH2F4 _chemical_formula_sum 'Ca2 H4 F8' _cell_volume 136.44643446 _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 -0.00000000 0.00000000 0.00000000 1 Ca Ca1 1 1.37807850 2.47488700 2.50041950 1 F F2 1 3.64042816 4.24089167 6.16888672 1 F F3 1 1.87188584 5.65865633 6.16888672 1 F F4 1 3.64042816 5.65865633 3.83279128 1 F F5 1 1.87188584 4.24089167 3.83279128 1 F F6 1 5.01850666 8.13354333 8.66930622 1 F F7 1 3.24996434 6.71577867 8.66930622 1 F F8 1 5.01850666 6.71577867 6.33321078 1 F F9 1 3.24996434 8.13354333 6.33321078 1 H H10 1 2.75615700 4.94977400 6.19052670 1 H H11 1 2.75615700 4.94977400 3.81115130 1 H H12 1 4.13423550 7.42466100 8.69094620 1 H H13 1 4.13423550 7.42466100 6.31157080 1 [/CIF]
Ca2F8H4
Fddd
70
orthorhombic
mmm
2,874.225272
false
[CIF] data_Sr2NbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60258769 _cell_length_b 5.84596184 _cell_length_c 6.14868349 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2NbBr _chemical_formula_sum 'Sr2 Nb1 Br1' _cell_volume 129.49490301 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 0.00000000 2.92298092 3.07434174 1 Sr Sr2 1 1.80129385 2.92298092 0.00000000 1 Sr Sr3 1 1.80129385 0.00000000 3.07434174 1 [/CIF]
BrNbSr2
Pmmm
47
orthorhombic
mmm
4,463.119703
false
[CIF] data_Ca2PdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91020980 _cell_length_b 4.91020980 _cell_length_c 3.45017640 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2PdRu _chemical_formula_sum 'Ca2 Pd1 Ru1' _cell_volume 83.18430600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 2.45510490 1.72508820 1 Ca Ca1 1 2.45510490 0.00000000 1.72508820 1 Pd Pd2 1 2.45510490 2.45510490 0.00000000 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca2PdRu
P4/mmm
123
tetragonal
4/mmm
5,742.037691
false
[CIF] data_Ta2BeSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97825627 _cell_length_b 3.59739471 _cell_length_c 6.41711645 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2BeSb _chemical_formula_sum 'Ta2 Be1 Sb1' _cell_volume 68.75275046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 0.00000000 0.00000000 3.20855822 1 Ta Ta2 1 1.48912814 1.79869736 5.06364443 1 Ta Ta3 1 1.48912814 1.79869736 1.35347202 1 [/CIF]
BeSbTa2
Pmmm
47
orthorhombic
mmm
11,899.07835
false
[CIF] data_HfSnSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94656855 _cell_length_b 5.94656855 _cell_length_c 5.35460935 _cell_angle_alpha 97.29870482 _cell_angle_beta 97.29870482 _cell_angle_gamma 32.04054565 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSnSb2 _chemical_formula_sum 'Hf1 Sn1 Sb2' _cell_volume 99.57140686 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 2.36650115 0.00000000 4.00915391 1 Sb Sb1 1 10.45580393 0.00000000 5.18885130 1 Sb Sb2 1 8.41253556 0.00000000 1.38676140 1 Sn Sn3 1 5.57393231 0.00000000 2.68430813 1 [/CIF]
HfSb2Sn
Cm
8
monoclinic
m
9,017.515292
false
[CIF] data_Cr2Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79716670 _cell_length_b 5.14040315 _cell_length_c 7.85738679 _cell_angle_alpha 58.70506203 _cell_angle_beta 40.25758111 _cell_angle_gamma 81.03735685 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2Ir3 _chemical_formula_sum 'Cr4 Ir6' _cell_volume 136.45107429 _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 Cr Cr0 1 2.58235949 6.97162555 2.96719786 1 Cr Cr1 1 6.57851347 5.79679313 2.96719786 1 Cr Cr2 1 4.87257773 2.60468846 1.80064887 1 Cr Cr3 1 4.28829523 10.16373022 1.80064887 1 Ir Ir4 1 5.00127810 7.67388647 1.89757091 1 Ir Ir5 1 4.15959486 5.09453221 1.89757091 1 Ir Ir6 1 7.29149634 8.28663688 3.06411991 1 Ir Ir7 1 6.44981310 10.86599114 3.06411991 1 Ir Ir8 1 4.58043648 6.38420934 4.26905039 1 Ir Ir9 1 2.29021824 3.19210467 0.76940341 1 [/CIF]
Cr4Ir6
Fdd2
43
orthorhombic
mm2
16,566.152079
false
[CIF] data_Zn4Cu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89022270 _cell_length_b 5.89022270 _cell_length_c 5.89022270 _cell_angle_alpha 95.77012258 _cell_angle_beta 95.77012258 _cell_angle_gamma 143.02757091 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn4Cu5 _chemical_formula_sum 'Zn4 Cu5' _cell_volume 116.56609102 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.64107227 2.64107227 -0.00000000 1 Cu Cu2 1 1.30902918 1.30902918 1.86765107 1 Cu Cu3 1 1.30902918 -1.30902918 1.86765107 1 Cu Cu4 1 -1.30902918 1.30902918 1.86765107 1 Zn Zn5 1 2.55931924 0.00000000 -0.00000000 1 Zn Zn6 1 5.34088366 -0.00000000 -0.00000000 1 Zn Zn7 1 -0.00000000 2.55931924 -0.00000000 1 Zn Zn8 1 0.00000000 5.34088366 0.00000000 1 [/CIF]
Cu5Zn4
I4/mmm
139
tetragonal
4/mmm
8,251.690058
false
[CIF] data_Hg2S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98388102 _cell_length_b 3.98388102 _cell_length_c 5.15371072 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg2S _chemical_formula_sum 'Hg2 S1' _cell_volume 70.83752658 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.99194051 1.15004739 1.59345036 1 Hg Hg1 1 0.00000000 2.30009478 3.56026036 1 S S2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2S
P-3m1
164
trigonal
-3m
10,155.907012
false
[CIF] data_Mn2ReTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58625034 _cell_length_b 4.58625034 _cell_length_c 4.73429260 _cell_angle_alpha 100.34228247 _cell_angle_beta 100.34228247 _cell_angle_gamma 39.63207971 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2ReTe _chemical_formula_sum 'Mn2 Re1 Te1' _cell_volume 62.35018166 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.01696821 0.00000000 0.09902108 1 Mn Mn1 1 6.27999225 0.00000000 1.16838217 1 Re Re2 1 3.83033470 0.00000000 2.12473979 1 Te Te3 1 1.46159083 0.00000000 3.57879626 1 [/CIF]
Mn2ReTe
Cm
8
monoclinic
m
11,283.725308
false
[CIF] data_BaPBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.65896589 _cell_length_b 9.65896589 _cell_length_c 9.65896589 _cell_angle_alpha 29.57209841 _cell_angle_beta 29.57209841 _cell_angle_gamma 29.57209841 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaPBr2 _chemical_formula_sum 'Ba1 P1 Br2' _cell_volume 194.29058721 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.84505216 1 Br Br1 1 -0.00000000 -0.00000000 21.49471650 1 Br Br2 1 -0.00000000 -0.00000000 6.19538782 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaBr2P
R-3m
166
trigonal
-3m
2,804.239903
false
[CIF] data_K2SrAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.85055614 _cell_length_b 9.85055614 _cell_length_c 5.47443703 _cell_angle_alpha 105.55068873 _cell_angle_beta 105.55068873 _cell_angle_gamma 23.65788779 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2SrAl _chemical_formula_sum 'K2 Sr1 Al1' _cell_volume 205.00649639 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 5.21356675 -0.00000000 4.40295148 1 K K2 1 12.56968259 0.00000000 0.86212141 1 Sr Sr3 1 8.89162467 -0.00000000 2.63253645 1 [/CIF]
AlK2Sr
C2/m
12
monoclinic
2/m
1,561.652176
false
[CIF] data_K2YGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80273992 _cell_length_b 5.80273992 _cell_length_c 5.80273992 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2YGe _chemical_formula_sum 'K2 Y1 Ge1' _cell_volume 138.16063501 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 2.05157838 2.05157838 2.05157838 1 K K2 1 6.15473513 6.15473513 6.15473513 1 Y Y3 1 4.10315675 4.10315675 4.10315675 1 [/CIF]
GeK2Y
Fm-3m
225
cubic
m-3m
2,881.440898
false
[CIF] data_LiAlRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08401826 _cell_length_b 4.26085632 _cell_length_c 4.33134056 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAlRe2 _chemical_formula_sum 'Li1 Al1 Re2' _cell_volume 56.91623485 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54200913 2.13042816 0.00000000 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 0.00000000 2.13042816 2.16567028 1 Re Re3 1 1.54200913 0.00000000 2.16567028 1 [/CIF]
AlLiRe2
Pmmm
47
orthorhombic
mmm
11,854.925019
false
[CIF] data_AlZnPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07868906 _cell_length_b 5.07868906 _cell_length_c 5.07868906 _cell_angle_alpha 138.30611779 _cell_angle_beta 136.03423652 _cell_angle_gamma 62.19499134 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlZnPt2 _chemical_formula_sum 'Al1 Zn1 Pt2' _cell_volume 59.77015640 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.61313038 1 Pt Pt1 1 -0.00000000 1.90110345 4.24623927 1 Pt Pt2 1 0.00000000 0.00000000 2.12293494 1 Zn Zn3 1 -0.00000000 1.90110345 0.06418228 1 [/CIF]
AlPt2Zn
Imm2
44
orthorhombic
mm2
13,405.672629
false
[CIF] data_MgAsSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85851248 _cell_length_b 4.85851248 _cell_length_c 4.85851248 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAsSe2 _chemical_formula_sum 'Mg1 As1 Se2' _cell_volume 81.09516647 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.43548712 3.43548712 3.43548712 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 5.15323068 5.15323068 5.15323068 1 Se Se3 1 1.71774356 1.71774356 1.71774356 1 [/CIF]
AsMgSe2
Fm-3m
225
cubic
m-3m
5,265.442982
false
[CIF] data_La2GeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.60680198 _cell_length_b 7.60680198 _cell_length_c 7.60680198 _cell_angle_alpha 33.56668456 _cell_angle_beta 33.56668456 _cell_angle_gamma 33.56668456 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2GeSe _chemical_formula_sum 'La2 Ge1 Se1' _cell_volume 119.85616028 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 -0.00000000 0.00000000 16.07422372 1 La La2 1 0.00000000 0.00000000 5.44033151 1 Se Se3 1 0.00000000 -0.00000000 10.75727762 1 [/CIF]
GeLa2Se
R-3m
166
trigonal
-3m
5,953.765795
false
[CIF] data_BeSi2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49940198 _cell_length_b 3.49940198 _cell_length_c 4.07038046 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSi2W _chemical_formula_sum 'Be1 Si2 W1' _cell_volume 49.84512277 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Si Si1 1 0.00000000 1.74970099 2.03519023 1 Si Si2 1 1.74970099 0.00000000 2.03519023 1 W W3 1 1.74970099 1.74970099 0.00000000 1 [/CIF]
BeSi2W
P4/mmm
123
tetragonal
4/mmm
8,296.074351
false
[CIF] data_Ba3BP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14784211 _cell_length_b 6.14784211 _cell_length_c 6.14784211 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3BP _chemical_formula_sum 'Ba3 B1 P1' _cell_volume 232.36361052 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Ba Ba1 1 3.07392106 3.07392106 0.00000000 1 Ba Ba2 1 0.00000000 3.07392106 3.07392106 1 Ba Ba3 1 3.07392106 0.00000000 3.07392106 1 P P4 1 3.07392106 3.07392106 3.07392106 1 [/CIF]
BBa3P
Pm-3m
221
cubic
m-3m
3,242.744306
false
[CIF] data_BaMg2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09231730 _cell_length_b 6.09231730 _cell_length_c 3.21203161 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 121.01483864 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg2Pt _chemical_formula_sum 'Ba1 Mg2 Pt1' _cell_volume 102.17457311 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 1.49965696 2.65143575 1.60601580 1 Mg Mg2 1 1.49965696 -2.65143574 1.60601580 1 Pt Pt3 1 2.99931392 0.00000000 0.00000000 1 [/CIF]
BaMg2Pt
Cmmm
65
orthorhombic
mmm
6,192.345477
false
[CIF] data_CdIn2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41129402 _cell_length_b 5.41129402 _cell_length_c 5.41129402 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdIn2Pb _chemical_formula_sum 'Cd1 In2 Pb1' _cell_volume 112.04394679 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 1.91318135 1.91318135 1.91318135 1 In In2 1 5.73954405 5.73954405 5.73954405 1 Pb Pb3 1 3.82636270 3.82636270 3.82636270 1 [/CIF]
CdIn2Pb
Fm-3m
225
cubic
m-3m
8,140.074737
false
[CIF] data_CoHg2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21970313 _cell_length_b 3.21970313 _cell_length_c 6.51815274 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoHg2Pd _chemical_formula_sum 'Co1 Hg2 Pd1' _cell_volume 67.57035376 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 1.60985157 1.60985157 1.54381489 1 Hg Hg2 1 1.60985157 1.60985157 4.97433785 1 Pd Pd3 1 0.00000000 0.00000000 3.25907637 1 [/CIF]
CoHg2Pd
P4/mmm
123
tetragonal
4/mmm
13,922.533337
false
[CIF] data_NaSrZrRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04610983 _cell_length_b 5.04610983 _cell_length_c 5.04610983 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrZrRe _chemical_formula_sum 'Na1 Sr1 Zr1 Re1' _cell_volume 90.85631090 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 3.56813848 3.56813848 3.56813848 1 Sr Sr2 1 1.78406924 1.78406924 1.78406924 1 Zr Zr3 1 5.35220772 5.35220772 5.35220772 1 [/CIF]
NaReSrZr
F-43m
216
cubic
-43m
7,092.042924
false
[CIF] data_MoAsPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07503616 _cell_length_b 5.07503616 _cell_length_c 5.07503616 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoAsPb2 _chemical_formula_sum 'Mo1 As1 Pb2' _cell_volume 92.42775912 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 3.58859248 3.58859248 3.58859248 1 Pb Pb2 1 5.38288872 5.38288872 5.38288872 1 Pb Pb3 1 1.79429624 1.79429624 1.79429624 1 [/CIF]
AsMoPb2
Fm-3m
225
cubic
m-3m
10,515.054904
false
[CIF] data_DyTi2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72797898 _cell_length_b 4.72797898 _cell_length_c 4.72797898 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyTi2W _chemical_formula_sum 'Dy1 Ti2 W1' _cell_volume 74.73286193 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Dy Dy0 1 0.00000000 0.00000000 0.00000000 1 Ti Ti1 1 5.01477900 5.01477900 5.01477900 1 Ti Ti2 1 1.67159300 1.67159300 1.67159300 1 W W3 1 3.34318600 3.34318600 3.34318600 1 [/CIF]
DyTi2W
Fm-3m
225
cubic
m-3m
9,822.735653
false
[CIF] data_LiHfSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91990840 _cell_length_b 3.91990840 _cell_length_c 5.86464446 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHfSn2 _chemical_formula_sum 'Li1 Hf1 Sn2' _cell_volume 90.11426102 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95995420 1.95995420 2.76289717 1 Li Li1 1 0.00000000 0.00000000 4.49513667 1 Sn Sn2 1 1.95995420 1.95995420 5.69381065 1 Sn Sn3 1 0.00000000 0.00000000 1.70976666 1 [/CIF]
HfLiSn2
P4mm
99
tetragonal
4mm
7,791.89217
false
[CIF] data_BeCdAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19683983 _cell_length_b 3.19683983 _cell_length_c 6.61532350 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCdAu2 _chemical_formula_sum 'Be1 Cd1 Au2' _cell_volume 67.60718321 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.11187279 1 Au Au1 1 1.59841992 1.59841992 2.06215610 1 Be Be2 1 0.00000000 0.00000000 2.85252180 1 Cd Cd3 1 1.59841992 1.59841992 4.89643449 1 [/CIF]
Au2BeCd
P4mm
99
tetragonal
4mm
12,657.964169
false
[CIF] data_PdWSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47252987 _cell_length_b 4.47252987 _cell_length_c 5.39998741 _cell_angle_alpha 97.48338440 _cell_angle_beta 97.48338440 _cell_angle_gamma 41.97893804 _symmetry_Int_Tables_number 1 _chemical_formula_structural PdWSe2 _chemical_formula_sum 'Pd1 W1 Se2' _cell_volume 71.54276199 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Se Se1 1 1.22020722 -0.00000000 3.85940943 1 Se Se2 1 6.37804511 -0.00000000 1.48778135 1 W W3 1 3.79912616 0.00000000 2.67359539 1 [/CIF]
PdSe2W
C2/m
12
monoclinic
2/m
10,402.455513
false
[CIF] data_Y2GaB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95642870 _cell_length_b 5.95642870 _cell_length_c 5.95642870 _cell_angle_alpha 144.52311238 _cell_angle_beta 138.17949186 _cell_angle_gamma 55.97275381 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2GaB _chemical_formula_sum 'Y2 Ga1 B1' _cell_volume 81.16958719 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.60137844 1 Ga Ga1 1 1.81475824 -0.00000000 3.29902175 1 Y Y2 1 0.00000000 0.00000000 0.06473680 1 Y Y3 1 -0.00000000 2.12588029 2.55462135 1 [/CIF]
BGaY2
Imm2
44
orthorhombic
mm2
5,285.146104
false
[CIF] data_TiSbP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25089695 _cell_length_b 4.25089695 _cell_length_c 3.70689520 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSbP _chemical_formula_sum 'Ti1 Sb1 P1' _cell_volume 58.00989702 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 2.12544848 1.22712825 1.85344760 1 Ti Ti2 1 0.00000000 2.45425650 0.00000000 1 [/CIF]
PSbTi
P-6m2
187
hexagonal
-6m2
5,742.216741
false
[CIF] data_Ta2CdP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51671981 _cell_length_b 5.51671981 _cell_length_c 4.57497868 _cell_angle_alpha 114.03734319 _cell_angle_beta 114.03734319 _cell_angle_gamma 33.79789662 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2CdP _chemical_formula_sum 'Ta2 Cd1 P1' _cell_volume 70.08303333 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 4.14060065 0.00000000 1.93417963 1 P P1 1 7.20593091 -0.00000000 1.03737467 1 Ta Ta2 1 0.32457197 0.00000000 0.09299285 1 Ta Ta3 1 1.24294789 0.00000000 3.14500774 1 [/CIF]
CdPTa2
Cm
8
monoclinic
m
11,972.056667
false
[CIF] data_Fe2CuHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05015021 _cell_length_b 3.05015021 _cell_length_c 6.15300369 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2CuHg _chemical_formula_sum 'Fe2 Cu1 Hg1' _cell_volume 57.24395485 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.82841373 1 Fe Fe1 1 1.52507510 1.52507510 0.07918485 1 Fe Fe2 1 0.00000000 0.00000000 1.24253664 1 Hg Hg3 1 1.52507510 1.52507510 3.07937031 1 [/CIF]
CuFe2Hg
P4mm
99
tetragonal
4mm
10,902.002787
false
[CIF] data_Co2SiSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13251834 _cell_length_b 4.13251834 _cell_length_c 2.92712697 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2SiSe _chemical_formula_sum 'Co2 Si1 Se1' _cell_volume 49.98861918 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.06625917 1.46356349 1 Co Co1 1 2.06625917 0.00000000 1.46356349 1 Se Se2 1 2.06625917 2.06625917 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2SeSi
P4/mmm
123
tetragonal
4/mmm
7,471.200166
false
[CIF] data_CdSb2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72743217 _cell_length_b 4.72743217 _cell_length_c 3.78548211 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSb2Ru _chemical_formula_sum 'Cd1 Sb2 Ru1' _cell_volume 84.60028197 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 2.36371609 2.36371609 0.00000000 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 0.00000000 2.36371609 1.89274105 1 Sb Sb3 1 2.36371609 0.00000000 1.89274105 1 [/CIF]
CdRuSb2
P4/mmm
123
tetragonal
4/mmm
8,970.04119
false
[CIF] data_NaAlFeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80426708 _cell_length_b 4.80426708 _cell_length_c 4.80426708 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAlFeBi _chemical_formula_sum 'Na1 Al1 Fe1 Bi1' _cell_volume 78.40909301 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 3.39712983 3.39712983 3.39712983 1 Bi Bi1 1 1.69856491 1.69856491 1.69856491 1 Fe Fe2 1 5.09569475 5.09569475 5.09569475 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AlBiFeNa
F-43m
216
cubic
-43m
6,666.72973
false
[CIF] data_ZrGaMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32758746 _cell_length_b 5.32758746 _cell_length_c 5.32758746 _cell_angle_alpha 137.06792475 _cell_angle_beta 137.06792475 _cell_angle_gamma 62.33355706 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGaMo2 _chemical_formula_sum 'Zr1 Ga1 Mo2' _cell_volume 69.31032550 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 1.94962878 0.00000000 2.27931368 1 Mo Mo2 1 0.00000000 1.94962878 2.27931368 1 Zr Zr3 1 0.00000000 0.00000000 4.55862736 1 [/CIF]
GaMo2Zr
I4/mmm
139
tetragonal
4/mmm
8,453.999236
false
[CIF] data_Ta4AsBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56677983 _cell_length_b 5.56677983 _cell_length_c 5.56677983 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4AsBr _chemical_formula_sum 'Ta4 As1 Br1' _cell_volume 121.98238996 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Br Br1 1 1.96815389 1.96815389 1.96815389 1 Ta Ta2 1 2.95332677 2.95332677 4.91928877 1 Ta Ta3 1 2.95332677 4.91928877 2.95332677 1 Ta Ta4 1 4.91928877 2.95332677 2.95332677 1 Ta Ta5 1 4.91928877 4.91928877 4.91928877 1 [/CIF]
AsBrTa4
F-43m
216
cubic
-43m
11,960.562937
false
[CIF] data_NdHoOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87165079 _cell_length_b 4.87165079 _cell_length_c 4.87165079 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdHoOs2 _chemical_formula_sum 'Nd1 Ho1 Os2' _cell_volume 81.75483586 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ho Ho0 1 3.44477731 3.44477731 3.44477731 1 Nd Nd1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.72238865 1.72238865 1.72238865 1 Os Os3 1 5.16716596 5.16716596 5.16716596 1 [/CIF]
HoNdOs2
Fm-3m
225
cubic
m-3m
14,007.26204
false
[CIF] data_HfCdHgIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71808246 _cell_length_b 4.71808246 _cell_length_c 4.71808246 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCdHgIr _chemical_formula_sum 'Hf1 Cd1 Hg1 Ir1' _cell_volume 74.26455489 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 5.00428215 5.00428215 5.00428215 1 Hg Hg2 1 3.33618810 3.33618810 3.33618810 1 Ir Ir3 1 1.66809405 1.66809405 1.66809405 1 [/CIF]
CdHfHgIr
F-43m
216
cubic
-43m
15,287.560072
false
[CIF] data_Sr2YbNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89595891 _cell_length_b 5.89595891 _cell_length_c 5.89595891 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2YbNb _chemical_formula_sum 'Sr2 Yb1 Nb1' _cell_volume 144.92668121 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Sr Sr1 1 6.25360879 6.25360879 6.25360879 1 Sr Sr2 1 2.08453626 2.08453626 2.08453626 1 Yb Yb3 1 4.16907253 4.16907253 4.16907253 1 [/CIF]
NbSr2Yb
Fm-3m
225
cubic
m-3m
5,055.180047
false
[CIF] data_Bi3Se2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.48653053 _cell_length_b 10.48653053 _cell_length_c 10.48653053 _cell_angle_alpha 22.93784190 _cell_angle_beta 22.93784190 _cell_angle_gamma 22.93784190 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi3Se2 _chemical_formula_sum 'Bi3 Se2' _cell_volume 153.71567532 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 -0.00000000 -0.00000000 6.10922246 1 Bi Bi2 1 -0.00000000 -0.00000000 24.50995484 1 Se Se3 1 0.00000000 -0.00000000 18.66498660 1 Se Se4 1 -0.00000000 0.00000000 11.95419070 1 [/CIF]
Bi3Se2
R-3m
166
trigonal
-3m
8,478.593229
false
[CIF] data_CaAg2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88689250 _cell_length_b 2.88689250 _cell_length_c 8.99896066 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAg2Os _chemical_formula_sum 'Ca1 Ag2 Os1' _cell_volume 74.99867275 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.90348970 1 Ag Ag1 1 1.44344625 1.44344625 2.08755397 1 Ca Ca2 1 0.00000000 0.00000000 4.63826770 1 Os Os3 1 1.44344625 1.44344625 6.86809029 1 [/CIF]
Ag2CaOs
P4mm
99
tetragonal
4mm
9,875.830125
false
[CIF] data_BeHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62675486 _cell_length_b 4.62675486 _cell_length_c 11.86572838 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeHg _chemical_formula_sum 'Be6 Hg6' _cell_volume 219.97737467 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.90028022 1 Be Be1 1 0.00000000 0.00000000 10.96544816 1 Be Be2 1 0.00000000 2.67125817 4.75296143 1 Be Be3 1 0.00000000 2.67125817 2.86095265 1 Be Be4 1 2.31337743 1.33562908 9.00477573 1 Be Be5 1 2.31337743 1.33562908 7.11276695 1 Hg Hg6 1 0.00000000 0.00000000 3.31189127 1 Hg Hg7 1 0.00000000 0.00000000 8.55383711 1 Hg Hg8 1 0.00000000 2.67125817 7.27358660 1 Hg Hg9 1 0.00000000 2.67125817 0.67619143 1 Hg Hg10 1 2.31337743 1.33562908 11.18953695 1 Hg Hg11 1 2.31337743 1.33562908 4.59214178 1 [/CIF]
Be6Hg6
P-3m1
164
trigonal
-3m
9,493.320275
false
[CIF] data_PuS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72145612 _cell_length_b 3.72145612 _cell_length_c 3.67778900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PuS _chemical_formula_sum 'Pu1 S1' _cell_volume 44.11062865 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pu Pu0 1 0.00000002 2.14858368 1.83889450 1 S S1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PuS
P-6m2
187
hexagonal
-6m2
10,392.414281
false
[CIF] data_LiLaRePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79578427 _cell_length_b 4.79578427 _cell_length_c 4.79578427 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaRePd _chemical_formula_sum 'Li1 La1 Re1 Pd1' _cell_volume 77.99448943 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69556579 1.69556579 1.69556579 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 3.39113158 3.39113158 3.39113158 1 Re Re3 1 5.08669737 5.08669737 5.08669737 1 [/CIF]
LaLiPdRe
F-43m
216
cubic
-43m
9,335.304736
false
[CIF] data_VFeTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67391780 _cell_length_b 3.64075579 _cell_length_c 5.47979284 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFeTc2 _chemical_formula_sum 'V1 Fe1 Tc2' _cell_volume 53.34623106 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 2.73989642 1 Tc Tc1 1 1.33695890 1.82037789 4.03364334 1 Tc Tc2 1 1.33695890 1.82037789 1.44614950 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeTc2V
Pmmm
47
orthorhombic
mmm
9,481.426579
false
[CIF] data_CaSnRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33891894 _cell_length_b 3.33891894 _cell_length_c 6.72048943 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSnRu2 _chemical_formula_sum 'Ca1 Sn1 Ru2' _cell_volume 74.92256785 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 1.66945947 1.66945947 1.93860300 1 Ru Ru2 1 1.66945947 1.66945947 4.78188643 1 Sn Sn3 1 0.00000000 0.00000000 3.36024472 1 [/CIF]
CaRu2Sn
P4/mmm
123
tetragonal
4/mmm
7,999.392725
false