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_YAlFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96183719 _cell_length_b 4.96183719 _cell_length_c 4.96183719 _cell_angle_alpha 131.05383952 _cell_angle_beta 131.05383952 _cell_angle_gamma 71.72755331 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAlFe2 _chemical_formula_sum 'Y1 Al1 Fe2' _cell_volume 67.95968571 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 2.05551877 -0.00000000 2.01056668 1 Fe Fe2 1 0.00000000 -0.00000000 4.02113336 1 Y Y3 1 -0.00000000 2.05551877 2.01056668 1 [/CIF]
AlFe2Y
I-4m2
119
tetragonal
-42m
5,560.666452
false
[CIF] data_CrFe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80219480 _cell_length_b 2.80219480 _cell_length_c 6.82210753 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrFe2Cl _chemical_formula_sum 'Cr1 Fe2 Cl1' _cell_volume 53.56920560 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 0.00000000 0.00000000 3.41105377 1 Fe Fe2 1 1.40109740 1.40109740 5.03459297 1 Fe Fe3 1 1.40109740 1.40109740 1.78751456 1 [/CIF]
ClCrFe2
P4/mmm
123
tetragonal
4/mmm
6,172.916912
false
[CIF] data_K2TePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58286967 _cell_length_b 5.58286967 _cell_length_c 5.58286967 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2TePt _chemical_formula_sum 'K2 Te1 Pt1' _cell_volume 123.04315826 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97384250 1.97384250 1.97384250 1 K K1 1 5.92152750 5.92152750 5.92152750 1 Pt Pt2 1 3.94768500 3.94768500 3.94768500 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2PtTe
Fm-3m
225
cubic
m-3m
5,410.117123
false
[CIF] data_Ho2NiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08086769 _cell_length_b 5.08086769 _cell_length_c 5.08086769 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho2NiTe _chemical_formula_sum 'Ho2 Ni1 Te1' _cell_volume 92.74674141 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.38907400 5.38907400 5.38907400 1 Ho Ho1 1 1.79635800 1.79635800 1.79635800 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 3.59271600 3.59271600 3.59271600 1 [/CIF]
Ho2NiTe
Fm-3m
225
cubic
m-3m
9,241.22977
false
[CIF] data_TiTeAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02580641 _cell_length_b 4.02580641 _cell_length_c 4.83361812 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTeAu2 _chemical_formula_sum 'Ti1 Te1 Au2' _cell_volume 78.33901562 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 2.01290321 2.41680906 1 Au Au1 1 2.01290321 0.00000000 2.41680906 1 Te Te2 1 2.01290321 2.01290321 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2TeTi
P4/mmm
123
tetragonal
4/mmm
12,069.479891
false
[CIF] data_LiCdGaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51352747 _cell_length_b 4.51352747 _cell_length_c 4.51352747 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCdGaPt _chemical_formula_sum 'Li1 Cd1 Ga1 Pt1' _cell_volume 65.01794992 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.78731882 4.78731882 4.78731882 1 Ga Ga1 1 1.59577294 1.59577294 1.59577294 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 3.19154588 3.19154588 3.19154588 1 [/CIF]
CdGaLiPt
F-43m
216
cubic
-43m
9,811.306386
false
[CIF] data_SrTaInGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09842739 _cell_length_b 5.09842739 _cell_length_c 5.09842739 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTaInGa _chemical_formula_sum 'Sr1 Ta1 In1 Ga1' _cell_volume 93.71167871 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 3.60513258 3.60513258 3.60513258 1 Sr Sr2 1 1.80256629 1.80256629 1.80256629 1 Ta Ta3 1 5.40769887 5.40769887 5.40769887 1 [/CIF]
GaInSrTa
F-43m
216
cubic
-43m
8,028.935209
false
[CIF] data_GaOs2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32784847 _cell_length_b 4.32784847 _cell_length_c 4.32784847 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaOs2Rh _chemical_formula_sum 'Ga1 Os2 Rh1' _cell_volume 57.31933474 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 4.59037650 4.59037650 4.59037650 1 Os Os2 1 1.53012550 1.53012550 1.53012550 1 Rh Rh3 1 3.06025100 3.06025100 3.06025100 1 [/CIF]
GaOs2Rh
Fm-3m
225
cubic
m-3m
16,022.95396
false
[CIF] data_TaNbCuSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62936592 _cell_length_b 4.62936592 _cell_length_c 4.62936592 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNbCuSb _chemical_formula_sum 'Ta1 Nb1 Cu1 Sb1' _cell_volume 70.15353078 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.91018406 4.91018406 4.91018406 1 Ta Ta1 1 1.63672802 1.63672802 1.63672802 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 3.27345604 3.27345604 3.27345604 1 [/CIF]
CuNbSbTa
F-43m
216
cubic
-43m
10,868.356035
false
[CIF] data_Li2MnCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.44126999 _cell_length_b 9.44126999 _cell_length_c 9.44126999 _cell_angle_alpha 14.85070048 _cell_angle_beta 14.85070048 _cell_angle_gamma 14.85070048 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MnCr _chemical_formula_sum 'Li2 Mn1 Cr1' _cell_volume 48.14459326 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 0.00000000 -0.00000000 6.94089378 1 Li Li2 1 0.00000000 0.00000000 21.06577362 1 Mn Mn3 1 0.00000000 0.00000000 14.00333370 1 [/CIF]
CrLi2Mn
R-3m
166
trigonal
-3m
4,167.029242
false
[CIF] data_NbMoPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77331819 _cell_length_b 4.11057296 _cell_length_c 5.54815757 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.77849906 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbMoPd2 _chemical_formula_sum 'Nb1 Mo1 Pd2' _cell_volume 63.24275174 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.03769128 0.00000000 2.77382272 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.35692354 2.05528648 1.40655818 1 Pd Pd3 1 1.34101209 2.05528648 4.14108726 1 [/CIF]
MoNbPd2
P2/m
10
monoclinic
2/m
10,547.440124
false
[CIF] data_SrMn2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04210379 _cell_length_b 5.04210379 _cell_length_c 5.04210379 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMn2In _chemical_formula_sum 'Sr1 Mn2 In1' _cell_volume 90.64009361 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.56530578 3.56530578 3.56530578 1 Mn Mn1 1 5.34795867 5.34795867 5.34795867 1 Mn Mn2 1 1.78265289 1.78265289 1.78265289 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InMn2Sr
Fm-3m
225
cubic
m-3m
5,721.637377
false
[CIF] data_Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.55527017 _cell_length_b 2.55527017 _cell_length_c 2.55527017 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu _chemical_formula_sum Cu1 _cell_volume 11.79764922 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 [/CIF]
Cu
Fm-3m
225
cubic
m-3m
8,944.426314
false
[CIF] data_NiTe2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28177526 _cell_length_b 3.38751011 _cell_length_c 6.59825086 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.83657517 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiTe2Rh _chemical_formula_sum 'Ni1 Te2 Rh1' _cell_volume 73.09187150 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 -0.27816228 0.00000000 3.28737804 1 Te Te2 1 1.37757638 1.69375506 4.94644475 1 Te Te3 1 1.34787433 1.69375506 1.62831132 1 [/CIF]
NiRhTe2
P2/m
10
monoclinic
2/m
9,469.053701
false
[CIF] data_Hf2BOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16551178 _cell_length_b 6.16551178 _cell_length_c 6.16551178 _cell_angle_alpha 138.10393882 _cell_angle_beta 138.10393882 _cell_angle_gamma 60.74384873 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2BOs2 _chemical_formula_sum 'Hf2 B1 Os2' _cell_volume 103.38589599 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 0.00000000 2.20430000 2.65968319 1 Hf Hf2 1 2.20430000 -0.00000000 2.65968318 1 Os Os3 1 0.00000000 -0.00000000 6.52632464 1 Os Os4 1 -0.00000000 0.00000000 4.11240810 1 [/CIF]
BHf2Os2
I4/mmm
139
tetragonal
4/mmm
12,018.080467
false
[CIF] data_SrHgAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70846104 _cell_length_b 5.70846104 _cell_length_c 5.70846104 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHgAu4 _chemical_formula_sum 'Sr1 Hg1 Au4' _cell_volume 131.53524127 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.04402272 5.04402272 3.02896030 1 Au Au1 1 5.04402272 3.02896030 5.04402272 1 Au Au2 1 3.02896030 5.04402272 5.04402272 1 Au Au3 1 3.02896030 3.02896030 3.02896030 1 Hg Hg4 1 6.05473727 6.05473727 6.05473726 1 Sr Sr5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au4HgSr
F-43m
216
cubic
-43m
13,584.699261
false
[CIF] data_MgBi2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13991428 _cell_length_b 5.13991428 _cell_length_c 5.13991428 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBi2W _chemical_formula_sum 'Mg1 Bi2 W1' _cell_volume 96.01799433 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 3.63446824 3.63446824 3.63446824 1 Bi Bi1 1 1.81723412 1.81723412 1.81723412 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 5.45170236 5.45170236 5.45170236 1 [/CIF]
Bi2MgW
F-43m
216
cubic
-43m
10,827.898958
false
[CIF] data_Tc2BRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.26369239 _cell_length_b 7.26369239 _cell_length_c 7.26369239 _cell_angle_alpha 22.79842012 _cell_angle_beta 22.79842012 _cell_angle_gamma 22.79842012 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2BRu _chemical_formula_sum 'Tc2 B1 Ru1' _cell_volume 50.49104497 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 0.00000000 -0.00000000 10.60800230 1 Tc Tc2 1 0.00000000 -0.00000000 5.73390487 1 Tc Tc3 1 -0.00000000 -0.00000000 15.48209972 1 [/CIF]
BRuTc2
R-3m
166
trigonal
-3m
10,185.132624
false
[CIF] data_MgTlNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18001570 _cell_length_b 3.30098894 _cell_length_c 5.89044180 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTlNi2 _chemical_formula_sum 'Mg1 Tl1 Ni2' _cell_volume 61.83312597 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 1.59000785 1.65049447 1.40750145 1 Ni Ni2 1 1.59000785 1.65049447 4.48294034 1 Tl Tl3 1 0.00000000 0.00000000 2.94522090 1 [/CIF]
MgNi2Tl
Pmmm
47
orthorhombic
mmm
9,294.149967
false
[CIF] data_Hf2MnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17921988 _cell_length_b 3.25595330 _cell_length_c 6.49262940 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.73721424 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2MnPd _chemical_formula_sum 'Hf2 Mn1 Pd1' _cell_volume 67.06483082 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.29106014 1.62797665 4.97284135 1 Hf Hf1 1 1.46496723 1.62797665 1.50598143 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 -0.21159626 0.00000000 3.23941139 1 [/CIF]
Hf2MnPd
P2/m
10
monoclinic
2/m
12,834.157081
false
[CIF] data_Ta2CdCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83643441 _cell_length_b 2.83643441 _cell_length_c 8.60884772 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2CdCu _chemical_formula_sum 'Ta2 Cd1 Cu1' _cell_volume 69.26128049 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.41821720 1.41821720 4.49674087 1 Cu Cu1 1 0.00000000 0.00000000 6.50907848 1 Ta Ta2 1 1.41821720 1.41821720 8.42183092 1 Ta Ta3 1 0.00000000 0.00000000 2.09446894 1 [/CIF]
CdCuTa2
P4mm
99
tetragonal
4mm
12,895.018887
false
[CIF] data_ZrOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37431041 _cell_length_b 5.37431041 _cell_length_c 6.96182514 _cell_angle_alpha 104.78083913 _cell_angle_beta 104.78083913 _cell_angle_gamma 30.65044733 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrOs2 _chemical_formula_sum 'Zr2 Os4' _cell_volume 98.85869042 _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 Os Os0 1 -1.23422462 -0.00000000 5.56451916 1 Os Os1 1 1.57526568 -0.00000000 5.90554336 1 Os Os2 1 6.94954369 -0.00000000 0.80828624 1 Os Os3 1 9.75903400 -0.00000000 1.14931045 1 Zr Zr4 1 5.60557401 0.00000000 3.62504720 1 Zr Zr5 1 2.91923537 0.00000000 3.08878241 1 [/CIF]
Os4Zr2
C2/m
12
monoclinic
2/m
15,845.84432
false
[CIF] data_In3Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44233171 _cell_length_b 4.44233171 _cell_length_c 4.44233171 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In3Pd _chemical_formula_sum 'In3 Pd1' _cell_volume 87.66635553 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 2.22116585 0.00000000 2.22116585 1 In In1 1 2.22116585 2.22116585 0.00000000 1 In In2 1 0.00000000 2.22116585 2.22116585 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In3Pd
Pm-3m
221
cubic
m-3m
8,541.446965
false
[CIF] data_SrMnGaAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99811588 _cell_length_b 4.99811588 _cell_length_c 4.99811588 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMnGaAg _chemical_formula_sum 'Sr1 Mn1 Ga1 Ag1' _cell_volume 88.28846460 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.53420163 3.53420163 3.53420163 1 Ga Ga1 1 1.76710081 1.76710082 1.76710081 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 5.30130245 5.30130245 5.30130245 1 [/CIF]
AgGaMnSr
F-43m
216
cubic
-43m
6,021.4019
false
[CIF] data_NpSnPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43233513 _cell_length_b 5.43233513 _cell_length_c 5.43233513 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NpSnPb2 _chemical_formula_sum 'Np1 Sn1 Pb2' _cell_volume 113.35603968 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Np Np0 1 3.84124101 3.84124101 3.84124101 1 Pb Pb1 1 1.92062050 1.92062050 1.92062050 1 Pb Pb2 1 5.76186151 5.76186151 5.76186151 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NpPb2Sn
Fm-3m
225
cubic
m-3m
11,281.286953
false
[CIF] data_TlInSnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08781034 _cell_length_b 5.08781034 _cell_length_c 5.08781034 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlInSnPt _chemical_formula_sum 'Tl1 In1 Sn1 Pt1' _cell_volume 93.12745657 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 5.39643778 5.39643778 5.39643778 1 Sn Sn2 1 1.79881259 1.79881259 1.79881259 1 Tl Tl3 1 3.59762519 3.59762519 3.59762519 1 [/CIF]
InPtSnTl
F-43m
216
cubic
-43m
11,286.826285
false
[CIF] data_CoCuTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64821675 _cell_length_b 5.64821675 _cell_length_c 5.64821675 _cell_angle_alpha 152.94253911 _cell_angle_beta 152.94253911 _cell_angle_gamma 38.63845633 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoCuTc _chemical_formula_sum 'Co1 Cu1 Tc1' _cell_volume 37.22254672 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.02031188 1 Cu Cu1 1 0.00000000 0.00000000 3.62632440 1 Tc Tc2 1 0.00000000 0.00000000 7.01369482 1 [/CIF]
CoCuTc
I4mm
107
tetragonal
4mm
9,876.247855
false
[CIF] data_SrCa2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58182082 _cell_length_b 3.58182082 _cell_length_c 9.80133365 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.47506079 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCa2Co _chemical_formula_sum 'Sr1 Ca2 Co1' _cell_volume 125.51441427 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.68889226 1 Ca Ca1 1 2.45477043 0.00000000 6.58079360 1 Co Co2 1 0.00000000 0.00000000 5.03231256 1 Sr Sr3 1 2.45477043 0.00000000 3.20133571 1 [/CIF]
Ca2CoSr
Cmm2
35
orthorhombic
mm2
2,999.332604
false
[CIF] data_LiTlIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77948844 _cell_length_b 2.77948844 _cell_length_c 9.99006060 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.42420273 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTlIr2 _chemical_formula_sum 'Li1 Tl1 Ir2' _cell_volume 67.87468509 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.42271294 -0.00000000 7.78277999 1 Ir Ir1 1 1.42271294 -0.00000000 2.20728061 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 4.99503030 1 [/CIF]
Ir2LiTl
Cmmm
65
orthorhombic
mmm
14,575.094236
false
[CIF] data_HfFe2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44815912 _cell_length_b 4.44815912 _cell_length_c 4.44815912 _cell_angle_alpha 138.89721855 _cell_angle_beta 124.07192669 _cell_angle_gamma 71.71374524 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfFe2B _chemical_formula_sum 'Hf1 Fe2 B1' _cell_volume 46.96849900 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Fe Fe1 1 0.00000000 2.08581860 2.00638222 1 Fe Fe2 1 1.56151459 0.00000000 1.59877416 1 Hf Hf3 1 0.00000000 0.00000000 3.60515638 1 [/CIF]
BFe2Hf
Immm
71
orthorhombic
mmm
10,641.330356
false
[CIF] data_LiHfFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01350634 _cell_length_b 5.01350634 _cell_length_c 5.01350634 _cell_angle_alpha 142.83065729 _cell_angle_beta 130.94328156 _cell_angle_gamma 63.11733260 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHfFe2 _chemical_formula_sum 'Li1 Hf1 Fe2' _cell_volume 56.82845945 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59783323 0.00000000 0.17059968 1 Fe Fe1 1 0.00000000 0.00000000 1.92343757 1 Hf Hf2 1 1.59783323 0.00000000 4.18968412 1 Li Li3 1 0.00000000 0.00000000 6.53237588 1 [/CIF]
Fe2HfLi
Imm2
44
orthorhombic
mm2
8,681.93565
false
[CIF] data_MgTiCoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38986851 _cell_length_b 4.38986851 _cell_length_c 4.38986851 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTiCoPd _chemical_formula_sum 'Mg1 Ti1 Co1 Pd1' _cell_volume 59.81905354 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 3.10410579 3.10410579 3.10410579 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.55205290 1.55205290 1.55205290 1 Ti Ti3 1 4.65615869 4.65615869 4.65615868 1 [/CIF]
CoMgPdTi
F-43m
216
cubic
-43m
6,593.549083
false
[CIF] data_Hf2Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22809860 _cell_length_b 3.22809860 _cell_length_c 15.27286489 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Sc _chemical_formula_sum 'Hf4 Sc2' _cell_volume 137.83030718 _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 1.61404930 0.93187180 11.52743502 1 Hf Hf1 1 1.61404930 0.93187180 1.25547852 1 Hf Hf2 1 -0.00000000 1.86374359 14.01738637 1 Hf Hf3 1 -0.00000000 1.86374359 3.74542987 1 Sc Sc4 1 1.61404930 0.93187180 6.29373716 1 Sc Sc5 1 -0.00000000 1.86374359 8.97912773 1 [/CIF]
Hf4Sc2
P-3m1
164
trigonal
-3m
9,684.811679
false
[CIF] data_AlTlTcW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57069388 _cell_length_b 4.57069388 _cell_length_c 4.57069388 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTlTcW _chemical_formula_sum 'Al1 Tl1 Tc1 W1' _cell_volume 67.51984087 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 3.23196864 3.23196864 3.23196864 1 Tl Tl2 1 4.84795296 4.84795296 4.84795296 1 W W3 1 1.61598432 1.61598432 1.61598432 1 [/CIF]
AlTcTlW
F-43m
216
cubic
-43m
12,643.712621
false
[CIF] data_YPb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.25970710 _cell_length_b 8.25970710 _cell_length_c 4.80876319 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 144.51508578 _symmetry_Int_Tables_number 1 _chemical_formula_structural YPb5 _chemical_formula_sum 'Y1 Pb5' _cell_volume 190.43920759 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.51705418 -5.24293773 2.40438159 1 Pb Pb1 1 2.51705418 -2.50383842 0.00000000 1 Pb Pb2 1 2.51705418 0.00000000 2.40438159 1 Pb Pb3 1 2.51705418 2.50383842 0.00000000 1 Pb Pb4 1 2.51705418 5.24293773 2.40438159 1 Y Y5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pb5Y
Cmmm
65
orthorhombic
mmm
9,808.642526
false
[CIF] data_TiVAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82984111 _cell_length_b 4.07165767 _cell_length_c 5.65288635 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.90983597 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiVAu2 _chemical_formula_sum 'Ti1 V1 Au2' _cell_volume 65.12516006 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.34354053 2.03582883 4.21717905 1 Au Au1 1 1.39653859 2.03582883 1.43499459 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 -0.04488099 0.00000000 2.82608682 1 [/CIF]
Au2TiV
P2/m
10
monoclinic
2/m
12,563.75783
false
[CIF] data_Ba2CdSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02386135 _cell_length_b 6.02386135 _cell_length_c 6.02386135 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CdSn _chemical_formula_sum 'Ba2 Cd1 Sn1' _cell_volume 154.56455364 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.38926982 6.38926982 6.38926981 1 Ba Ba1 1 2.12975660 2.12975661 2.12975661 1 Cd Cd2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 4.25951321 4.25951321 4.25951321 1 [/CIF]
Ba2CdSn
Fm-3m
225
cubic
m-3m
5,433.711201
false
[CIF] data_KCdNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15156222 _cell_length_b 3.15156222 _cell_length_c 8.17631772 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCdNi2 _chemical_formula_sum 'K1 Cd1 Ni2' _cell_volume 81.21000348 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57578111 1.57578111 3.43804618 1 K K1 1 0.00000000 0.00000000 6.45503940 1 Ni Ni2 1 1.57578111 1.57578111 0.77150965 1 Ni Ni3 1 0.00000000 0.00000000 1.59988135 1 [/CIF]
CdKNi2
P4mm
99
tetragonal
4mm
5,498.257561
false
[CIF] data_ReIr2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31458769 _cell_length_b 3.31458769 _cell_length_c 5.46040753 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReIr2Os _chemical_formula_sum 'Re1 Ir2 Os1' _cell_volume 59.99072121 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.65729385 1.65729385 0.01453014 1 Ir Ir1 1 0.00000000 0.00000000 1.35966141 1 Os Os2 1 1.65729385 1.65729385 2.71593943 1 Re Re3 1 0.00000000 0.00000000 4.10048031 1 [/CIF]
Ir2OsRe
P4mm
99
tetragonal
4mm
21,060.857322
false
[CIF] data_NiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32651387 _cell_length_b 3.32651387 _cell_length_c 7.54167061 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiBi _chemical_formula_sum 'Ni2 Bi2' _cell_volume 83.45382320 _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 Bi Bi0 1 1.66325693 0.00000000 5.87247318 1 Bi Bi1 1 0.00000000 1.66325693 1.66919743 1 Ni Ni2 1 1.66325693 0.00000000 3.15973781 1 Ni Ni3 1 0.00000000 1.66325693 4.38193280 1 [/CIF]
Bi2Ni2
P4/nmm
129
tetragonal
4/mmm
10,652.185484
false
[CIF] data_CoAgMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40297690 _cell_length_b 4.40297690 _cell_length_c 3.12517242 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoAgMo2 _chemical_formula_sum 'Co1 Ag1 Mo2' _cell_volume 60.58523501 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.20148845 2.20148845 0.00000000 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 0.00000000 2.20148845 1.56258621 1 Mo Mo3 1 2.20148845 0.00000000 1.56258621 1 [/CIF]
AgCoMo2
P4/mmm
123
tetragonal
4/mmm
9,831.948168
false
[CIF] data_CuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14954113 _cell_length_b 5.14954113 _cell_length_c 4.60415541 _cell_angle_alpha 115.72183387 _cell_angle_beta 115.72183387 _cell_angle_gamma 31.00500980 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuPt _chemical_formula_sum 'Cu2 Pt2' _cell_volume 56.15129044 _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 Cu Cu0 1 4.56498790 -0.00000000 3.25315251 1 Cu Cu1 1 3.28574424 -0.00000000 0.85758884 1 Pt Pt2 1 0.64191459 -0.00000000 1.19108149 1 Pt Pt3 1 7.20881755 -0.00000000 2.91965986 1 [/CIF]
Cu2Pt2
C2/m
12
monoclinic
2/m
15,296.717688
false
[CIF] data_YHfBiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03029718 _cell_length_b 5.03029718 _cell_length_c 5.03029718 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHfBiW _chemical_formula_sum 'Y1 Hf1 Bi1 W1' _cell_volume 90.00485412 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77847862 1.77847862 1.77847862 1 Hf Hf1 1 3.55695725 3.55695725 3.55695725 1 W W2 1 5.33543587 5.33543587 5.33543587 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiHfWY
F-43m
216
cubic
-43m
12,180.619437
false
[CIF] data_S5N2O2F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.17774299 _cell_length_b 8.17774299 _cell_length_c 12.44442511 _cell_angle_alpha 100.45221532 _cell_angle_beta 100.45221532 _cell_angle_gamma 83.21128234 _symmetry_Int_Tables_number 1 _chemical_formula_structural S5N2O2F _chemical_formula_sum 'S20 N8 O8 F4' _cell_volume 801.70042602 _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 S S0 1 8.15738707 -1.60531482 3.73638550 1 S S1 1 2.56250743 -1.60531482 2.29991500 1 S S2 1 1.05286993 1.60531482 8.33621550 1 S S3 1 6.64774957 1.60531482 9.77268600 1 S S4 1 4.85419452 -2.21535042 5.57796420 1 S S5 1 5.86569998 -2.21535042 0.45833630 1 S S6 1 4.35606248 2.21535042 6.49463680 1 S S7 1 3.34455702 2.21535042 11.61426470 1 S S8 1 8.97025120 1.40537606 6.21425064 1 S S9 1 -1.26963170 1.40537606 11.89465086 1 S S10 1 0.24000580 -1.40537606 5.85835036 1 S S11 1 10.47988870 -1.40537606 0.17795014 1 S S12 1 1.61589422 1.97129817 4.04866747 1 S S13 1 9.10400028 1.97129817 1.98763303 1 S S14 1 7.59436278 -1.97129817 8.02393353 1 S S15 1 0.10625672 -1.97129817 10.08496797 1 S S16 1 2.68741721 -2.07894832 7.32211701 1 S S17 1 5.01320229 -2.07894832 10.78678449 1 S S18 1 6.52283979 2.07894832 4.75048399 1 S S19 1 4.19705471 2.07894832 1.28581651 1 N N20 1 3.98967818 -1.43851547 6.65647001 1 N N21 1 3.71094132 -1.43851547 11.45243149 1 N N22 1 5.22057882 1.43851547 5.41613099 1 N N23 1 5.49931568 1.43851547 0.62016951 1 N N24 1 4.17687329 -3.63624004 5.41207459 1 N N25 1 6.54302121 -3.63624004 0.62422591 1 N N26 1 5.03338371 3.63624004 6.66052641 1 N N27 1 2.66723579 3.63624004 11.44837509 1 O O28 1 7.05494346 -0.66714855 3.84963857 1 O O29 1 3.66495104 -0.66714855 2.18666193 1 O O30 1 2.15531354 0.66714855 8.22296243 1 O O31 1 5.54530596 0.66714855 9.88593907 1 O O32 1 9.46100597 -1.16214374 4.18668145 1 O O33 1 1.25888853 -1.16214374 1.84961905 1 O O34 1 -0.25074897 1.16214374 7.88591955 1 O O35 1 7.95136847 1.16214374 10.22298195 1 F F36 1 8.40771244 -1.54995577 1.99362104 1 F F37 1 2.31218206 -1.54995577 4.04267946 1 F F38 1 0.80254456 1.54995577 10.07897996 1 F F39 1 6.89807494 1.54995577 8.02992154 1 [/CIF]
F4N8O8S20
C2/c
15
monoclinic
2/m
1,982.915844
false
[CIF] data_AlIrBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47750863 _cell_length_b 3.53545586 _cell_length_c 7.60752791 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.94900105 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlIrBr2 _chemical_formula_sum 'Al1 Ir1 Br2' _cell_volume 92.84428785 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.14748005 0.00000000 5.05395232 1 Br Br1 1 2.46932235 1.76772793 6.91755946 1 Br Br2 1 1.88639388 0.00000000 2.45076700 1 Ir Ir3 1 1.88956758 1.76772793 4.45683320 1 [/CIF]
AlBr2Ir
Pm
6
monoclinic
m
6,778.609416
false
[CIF] data_SnHg2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10378599 _cell_length_b 3.10378599 _cell_length_c 8.94323732 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnHg2Ir _chemical_formula_sum 'Sn1 Hg2 Ir1' _cell_volume 86.15456468 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55189299 1.55189299 2.61278431 1 Hg Hg1 1 1.55189299 1.55189299 6.33045301 1 Ir Ir2 1 0.00000000 0.00000000 4.47161866 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2IrSn
P4/mmm
123
tetragonal
4/mmm
13,725.117149
false
[CIF] data_BaScCoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00018415 _cell_length_b 5.00018415 _cell_length_c 5.00018415 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaScCoAu _chemical_formula_sum 'Ba1 Sc1 Co1 Au1' _cell_volume 88.39811406 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.53566412 3.53566412 3.53566412 1 Ba Ba1 1 1.76783206 1.76783206 1.76783206 1 Co Co2 1 5.30349618 5.30349618 5.30349618 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBaCoSc
F-43m
216
cubic
-43m
8,231.164879
false
[CIF] data_AlInGaOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58808672 _cell_length_b 4.58808672 _cell_length_c 4.58808672 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlInGaOs _chemical_formula_sum 'Al1 In1 Ga1 Os1' _cell_volume 68.29357619 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.86640084 4.86640085 4.86640085 1 In In2 1 3.24426723 3.24426723 3.24426723 1 Os Os3 1 1.62213361 1.62213361 1.62213362 1 [/CIF]
AlGaInOs
F-43m
216
cubic
-43m
9,768.499802
false
[CIF] data_HoTi2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75714867 _cell_length_b 4.75714867 _cell_length_c 4.75714867 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoTi2Ag _chemical_formula_sum 'Ho1 Ti2 Ag1' _cell_volume 76.12462670 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ho Ho1 1 3.36381209 3.36381209 3.36381209 1 Ti Ti2 1 5.04571813 5.04571813 5.04571813 1 Ti Ti3 1 1.68190604 1.68190604 1.68190604 1 [/CIF]
AgHoTi2
Fm-3m
225
cubic
m-3m
8,038.957605
false
[CIF] data_Sr2PmRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49306569 _cell_length_b 5.49306569 _cell_length_c 5.49306569 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2PmRu _chemical_formula_sum 'Sr2 Pm1 Ru1' _cell_volume 117.20047734 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pm Pm0 1 3.88418400 3.88418400 3.88418400 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 1.94209200 1.94209200 1.94209200 1 Sr Sr3 1 5.82627600 5.82627600 5.82627600 1 [/CIF]
PmRuSr2
Fm-3m
225
cubic
m-3m
5,969.27359
false
[CIF] data_Mn2GaCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97316011 _cell_length_b 2.97316011 _cell_length_c 7.15164716 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2GaCl _chemical_formula_sum 'Mn2 Ga1 Cl1' _cell_volume 63.21827980 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 0.00000000 0.00000000 3.57582358 1 Mn Mn2 1 1.48658006 1.48658006 5.24805469 1 Mn Mn3 1 1.48658006 1.48658006 1.90359247 1 [/CIF]
ClGaMn2
P4/mmm
123
tetragonal
4/mmm
5,648.735548
false
[CIF] data_Na4ZnSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.12844350 _cell_length_b 6.12844350 _cell_length_c 6.12844350 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4ZnSe _chemical_formula_sum 'Na4 Zn1 Se1' _cell_volume 162.75545846 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.42227772 5.42227772 3.24465020 1 Na Na1 1 5.42227772 3.24465020 5.42227772 1 Na Na2 1 3.24465020 5.42227772 5.42227772 1 Na Na3 1 3.24465020 3.24465020 3.24465020 1 Se Se4 1 6.50019594 6.50019594 6.50019594 1 Zn Zn5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Na4SeZn
F-43m
216
cubic
-43m
2,410.879811
false
[CIF] data_Ag2OsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75200692 _cell_length_b 2.75200692 _cell_length_c 9.74736757 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.69201785 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2OsPd _chemical_formula_sum 'Ag2 Os1 Pd1' _cell_volume 65.36639539 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42372320 0.00000000 0.05268296 1 Ag Ag1 1 0.00000000 0.00000000 7.26673612 1 Os Os2 1 1.42372320 0.00000000 4.79033677 1 Pd Pd3 1 0.00000000 0.00000000 2.51129550 1 [/CIF]
Ag2OsPd
Cmm2
35
orthorhombic
mm2
13,016.438023
false
[CIF] data_SiAs2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84121154 _cell_length_b 4.84121154 _cell_length_c 4.84121154 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAs2Br _chemical_formula_sum 'Si1 As2 Br1' _cell_volume 80.23191950 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.13488027 5.13488027 5.13488027 1 As As1 1 3.42325351 3.42325351 3.42325351 1 Br Br2 1 1.71162676 1.71162676 1.71162676 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2BrSi
F-43m
216
cubic
-43m
5,336.296401
false
[CIF] data_ZrCrW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41601024 _cell_length_b 5.41601024 _cell_length_c 2.67522665 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 121.31010083 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCrW2 _chemical_formula_sum 'Zr1 Cr1 W2' _cell_volume 67.04464840 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.32710247 2.36052764 1.33761332 1 W W2 1 1.32710247 -2.36052765 1.33761332 1 Zr Zr3 1 2.65420494 0.00000000 0.00000000 1 [/CIF]
CrW2Zr
Cmmm
65
orthorhombic
mmm
12,653.800048
false
[CIF] data_NiSb2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40075926 _cell_length_b 3.40075926 _cell_length_c 6.15388763 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiSb2Mo _chemical_formula_sum 'Ni1 Sb2 Mo1' _cell_volume 71.17071688 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.07694381 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 1.70037963 1.70037963 1.50365610 1 Sb Sb3 1 1.70037963 1.70037963 4.65023153 1 [/CIF]
MoNiSb2
P4/mmm
123
tetragonal
4/mmm
9,290.091698
false
[CIF] data_LiMn2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73019878 _cell_length_b 4.73019878 _cell_length_c 4.73019878 _cell_angle_alpha 146.00795378 _cell_angle_beta 130.00205911 _cell_angle_gamma 61.84032837 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn2Cr _chemical_formula_sum 'Li1 Mn2 Cr1' _cell_volume 44.86369592 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.38266230 0.00000000 3.95523445 1 Li Li1 1 0.00000000 -0.00000000 6.11138052 1 Mn Mn2 1 1.38266230 0.00000000 0.09772345 1 Mn Mn3 1 0.00000000 0.00000000 2.00954885 1 [/CIF]
CrLiMn2
Imm2
44
orthorhombic
mm2
6,248.279175
false
[CIF] data_LaCrGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92519123 _cell_length_b 4.92519123 _cell_length_c 4.92519123 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCrGe2 _chemical_formula_sum 'La1 Cr1 Ge2' _cell_volume 84.48007594 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 3.48263612 3.48263612 3.48263612 1 Ge Ge2 1 5.22395418 5.22395418 5.22395418 1 La La3 1 1.74131806 1.74131806 1.74131806 1 [/CIF]
CrGe2La
F-43m
216
cubic
-43m
6,607.979742
false
[CIF] data_Be2TcW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96520887 _cell_length_b 3.96520887 _cell_length_c 3.07712631 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2TcW _chemical_formula_sum 'Be2 Tc1 W1' _cell_volume 48.38129197 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 1.98260444 0.00000000 1.53856316 1 Be Be1 1 0.00000000 1.98260444 1.53856316 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.98260444 1.98260444 0.00000000 1 [/CIF]
Be2TcW
P4/mmm
123
tetragonal
4/mmm
10,323.024691
false
[CIF] data_KMnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35510823 _cell_length_b 5.35510823 _cell_length_c 5.35510823 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMnMo _chemical_formula_sum 'K1 Mn1 Mo1' _cell_volume 108.58998142 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 5.67995001 5.67995001 5.67995001 1 Mo Mo2 1 1.89331667 1.89331667 1.89331667 1 [/CIF]
KMnMo
F-43m
216
cubic
-43m
2,905.390988
false
[CIF] data_TaSi2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.53679735 _cell_length_b 9.53679735 _cell_length_c 9.53679735 _cell_angle_alpha 18.46208434 _cell_angle_beta 18.46208434 _cell_angle_gamma 18.46208434 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSi2Te _chemical_formula_sum 'Ta1 Si2 Te1' _cell_volume 75.98225690 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.74359287 1 Si Si1 1 0.00000000 0.00000000 21.37168886 1 Ta Ta2 1 0.00000000 0.00000000 14.05764087 1 Te Te3 1 0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Si2TaTe
R-3m
166
trigonal
-3m
7,970.675964
false
[CIF] data_MnNbCoMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28736661 _cell_length_b 4.28736661 _cell_length_c 4.28736661 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNbCoMo _chemical_formula_sum 'Mn1 Nb1 Co1 Mo1' _cell_volume 55.72587093 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 3.03162600 3.03162600 3.03162600 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 1.51581300 1.51581300 1.51581300 1 Nb Nb3 1 4.54743900 4.54743900 4.54743900 1 [/CIF]
CoMnMoNb
F-43m
216
cubic
-43m
9,021.081887
false
[CIF] data_TiSbRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86838505 _cell_length_b 4.86838505 _cell_length_c 4.86838505 _cell_angle_alpha 142.42645532 _cell_angle_beta 131.11487013 _cell_angle_gamma 63.24719993 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSbRh _chemical_formula_sum 'Ti1 Sb1 Rh1' _cell_volume 52.37148333 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 -0.00000000 0.00000000 8.27031562 1 Sb Sb1 1 -0.00000000 0.00000000 5.52495552 1 Ti Ti2 1 -0.00000000 0.00000000 2.78666322 1 [/CIF]
RhSbTi
Imm2
44
orthorhombic
mm2
8,641.169475
false
[CIF] data_ZrTeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58482128 _cell_length_b 4.58482128 _cell_length_c 4.58482128 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTeMo _chemical_formula_sum 'Zr1 Te1 Mo1' _cell_volume 68.14786222 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.86293733 4.86293733 4.86293733 1 Te Te1 1 3.24195822 3.24195822 3.24195822 1 Zr Zr2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoTeZr
F-43m
216
cubic
-43m
7,670.249843
false
[CIF] data_Zr2AlBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01760323 _cell_length_b 5.01760323 _cell_length_c 3.56522698 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2AlBi _chemical_formula_sum 'Zr2 Al1 Bi1' _cell_volume 89.75937438 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 2.50880161 2.50880161 0.00000000 1 Zr Zr2 1 2.50880161 0.00000000 1.78261349 1 Zr Zr3 1 0.00000000 2.50880161 1.78261349 1 [/CIF]
AlBiZr2
P4/mmm
123
tetragonal
4/mmm
7,740.540236
false
[CIF] data_KMgSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40793910 _cell_length_b 3.40793910 _cell_length_c 8.33817740 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMgSi2 _chemical_formula_sum 'K1 Mg1 Si2' _cell_volume 96.84000014 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70396955 1.70396955 3.81219620 1 Mg Mg1 1 0.00000000 0.00000000 6.95370000 1 Si Si2 1 1.70396955 1.70396955 0.42354873 1 Si Si3 1 0.00000000 0.00000000 1.31782117 1 [/CIF]
KMgSi2
P4mm
99
tetragonal
4mm
2,050.369643
false
[CIF] data_NaSn2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.60239995 _cell_length_b 7.60239995 _cell_length_c 4.32064663 _cell_angle_alpha 105.18969839 _cell_angle_beta 105.18969839 _cell_angle_gamma 23.91918267 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSn2Rh _chemical_formula_sum 'Na1 Sn2 Rh1' _cell_volume 97.54871455 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.72279888 0.00000000 2.30535037 1 Rh Rh1 1 3.06864671 0.00000000 3.22615649 1 Sn Sn2 1 12.68903537 0.00000000 3.81502338 1 Sn Sn3 1 10.81344179 0.00000000 1.06046457 1 [/CIF]
NaRhSn2
Cm
8
monoclinic
m
6,184.594035
false
[CIF] data_KNbTlCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25759389 _cell_length_b 5.25759389 _cell_length_c 5.25759389 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNbTlCd _chemical_formula_sum 'K1 Nb1 Tl1 Cd1' _cell_volume 102.76520963 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.85884015 1.85884015 1.85884015 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 5.57652043 5.57652043 5.57652043 1 Tl Tl3 1 3.71768029 3.71768029 3.71768029 1 [/CIF]
CdKNbTl
F-43m
216
cubic
-43m
7,251.950753
false
[CIF] data_MnNbCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78565410 _cell_length_b 2.78565410 _cell_length_c 6.35302442 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNbCo _chemical_formula_sum 'Mn1 Nb1 Co1' _cell_volume 42.69387103 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000001 1.60829815 0.08495874 1 Mn Mn1 1 0.00000000 0.00000000 1.99158078 1 Nb Nb2 1 1.39282704 0.80414908 4.27648496 1 [/CIF]
CoMnNb
P3m1
156
trigonal
3m
8,042.426421
false
[CIF] data_Ca2YNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50770471 _cell_length_b 3.50770471 _cell_length_c 8.97088756 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2YNi _chemical_formula_sum 'Ca2 Y1 Ni1' _cell_volume 110.37773175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 1.75385236 1.75385236 7.01049861 1 Ca Ca1 1 1.75385236 1.75385236 1.96038895 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 0.00000000 0.00000000 4.48544378 1 [/CIF]
Ca2NiY
P4/mmm
123
tetragonal
4/mmm
3,426.383966
false
[CIF] data_YTiInCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87353520 _cell_length_b 4.87353520 _cell_length_c 4.87353520 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTiInCu _chemical_formula_sum 'Y1 Ti1 In1 Cu1' _cell_volume 81.84974380 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 3.44610979 3.44610979 3.44610979 1 In In1 1 1.72305490 1.72305490 1.72305489 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 5.16916469 5.16916469 5.16916469 1 [/CIF]
CuInTiY
F-43m
216
cubic
-43m
6,393.386545
false
[CIF] data_LiPd3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24482500 _cell_length_b 4.24482500 _cell_length_c 4.24482500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiPd3O _chemical_formula_sum 'Li1 Pd3 O1' _cell_volume 76.48554600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 2.12241250 2.12241250 2.12241250 1 Pd Pd1 1 0.00000000 2.12241250 0.00000000 1 Pd Pd2 1 0.00000000 0.00000000 2.12241250 1 Pd Pd3 1 2.12241250 0.00000000 0.00000000 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LiOPd3
Pm-3m
221
cubic
m-3m
7,429.340085
false
[CIF] data_KAsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71242047 _cell_length_b 4.71242047 _cell_length_c 4.71242047 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAsPd _chemical_formula_sum 'K1 As1 Pd1' _cell_volume 73.99750958 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.33218447 3.33218447 3.33218447 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 4.99827671 4.99827671 4.99827671 1 [/CIF]
AsKPd
F-43m
216
cubic
-43m
4,946.775478
false
[CIF] data_Y2CoSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34310269 _cell_length_b 3.34310269 _cell_length_c 8.36378943 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2CoSn _chemical_formula_sum 'Y2 Co1 Sn1' _cell_volume 93.47651752 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.43823466 1 Sn Sn1 1 1.67155134 1.67155134 5.79775282 1 Y Y2 1 0.00000000 0.00000000 8.03736620 1 Y Y3 1 1.67155134 1.67155134 2.63611989 1 [/CIF]
CoSnY2
P4mm
99
tetragonal
4mm
6,314.385208
false
[CIF] data_V2CuRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76393129 _cell_length_b 3.76393129 _cell_length_c 3.70215641 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2CuRu _chemical_formula_sum 'V2 Cu1 Ru1' _cell_volume 52.44911164 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 1.88196565 1.88196565 0.00000000 1 V V2 1 1.88196565 0.00000000 1.85107821 1 V V3 1 0.00000000 1.88196565 1.85107821 1 [/CIF]
CuRuV2
P4/mmm
123
tetragonal
4/mmm
8,437.359316
false
[CIF] data_Cu2GeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88678236 _cell_length_b 5.88678236 _cell_length_c 5.88678236 _cell_angle_alpha 143.55799717 _cell_angle_beta 143.55799717 _cell_angle_gamma 52.48875619 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2GeBr _chemical_formula_sum 'Cu2 Ge1 Br1' _cell_volume 71.55740721 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84069738 2.63997504 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Cu Cu2 1 1.84069738 -0.00000000 2.63997504 1 Ge Ge3 1 0.00000000 0.00000000 5.27995008 1 [/CIF]
BrCu2Ge
I-4m2
119
tetragonal
-42m
6,489.146554
false
[CIF] data_KCa2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26853148 _cell_length_b 4.15674715 _cell_length_c 9.18004344 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.18952551 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCa2As _chemical_formula_sum 'K1 Ca2 As1' _cell_volume 158.58664134 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.90470912 2.07837358 1.20863712 1 Ca Ca1 1 4.03270875 0.00000000 0.84971913 1 Ca Ca2 1 -0.23964504 2.07837358 7.30785677 1 K K3 1 1.83160046 0.00000000 4.04060654 1 [/CIF]
AsCa2K
Pm
6
monoclinic
m
2,033.189334
false
[CIF] data_TaCdCoTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47966371 _cell_length_b 4.47966371 _cell_length_c 4.47966371 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCdCoTc _chemical_formula_sum 'Ta1 Cd1 Co1 Tc1' _cell_volume 63.56546689 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.16760059 3.16760059 3.16760059 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 4.75140089 4.75140089 4.75140089 1 Tc Tc3 1 1.58380030 1.58380030 1.58380030 1 [/CIF]
CdCoTaTc
F-43m
216
cubic
-43m
11,786.782967
false
[CIF] data_SrFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73861514 _cell_length_b 3.73861514 _cell_length_c 4.97363059 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrFe2 _chemical_formula_sum 'Sr1 Fe2' _cell_volume 60.20404578 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15849046 2.48681529 1 Fe Fe1 1 1.86930757 1.07924523 2.48681529 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2Sr
P6/mmm
191
hexagonal
6/mmm
5,497.338879
false
[CIF] data_YGa4Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56837693 _cell_length_b 5.56837693 _cell_length_c 5.56837693 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YGa4Cl _chemical_formula_sum 'Y1 Ga4 Cl1' _cell_volume 122.08740971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 4.92040122 4.92040122 2.95447296 1 Ga Ga2 1 4.92040122 2.95447296 4.92040122 1 Ga Ga3 1 2.95447296 4.92040122 4.92040122 1 Ga Ga4 1 2.95447296 2.95447296 2.95447296 1 Y Y5 1 5.90615564 5.90615564 5.90615564 1 [/CIF]
ClGa4Y
F-43m
216
cubic
-43m
5,484.707978
false
[CIF] data_Ni2SbMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36224665 _cell_length_b 4.36224665 _cell_length_c 4.36224665 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2SbMo _chemical_formula_sum 'Ni2 Sb1 Mo1' _cell_volume 58.69696643 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.08457419 3.08457419 3.08457419 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 4.62686128 4.62686128 4.62686129 1 Sb Sb3 1 1.54228709 1.54228709 1.54228710 1 [/CIF]
MoNi2Sb
F-43m
216
cubic
-43m
9,480.182141
false
[CIF] data_S(OF)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39422200 _cell_length_b 5.39422200 _cell_length_c 12.09227000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S(OF)2 _chemical_formula_sum 'S4 O8 F8' _cell_volume 351.85641023 _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 S S0 1 4.96312117 4.96312117 6.04613500 1 S S1 1 3.12821183 2.26601017 9.06920250 1 S S2 1 2.26601017 3.12821183 3.02306750 1 S S3 1 0.43110083 0.43110083 0.00000000 1 O O4 1 5.33157351 3.66759627 5.60556523 1 O O5 1 0.06264849 1.72662573 11.65170023 1 O O6 1 3.66759627 5.33157351 6.48670477 1 O O7 1 0.97048527 2.75975949 2.58249773 1 O O8 1 2.63446251 4.42373673 3.46363727 1 O O9 1 1.72662573 0.06264849 0.44056977 1 O O10 1 4.42373673 2.63446251 8.62863273 1 O O11 1 2.75975949 0.97048527 9.50977227 1 F F12 1 3.29833480 2.66977308 1.93131690 1 F F13 1 0.60122380 0.02733792 7.13788560 1 F F14 1 5.36688408 4.79299820 11.00051940 1 F F15 1 0.02733792 0.60122380 4.95438440 1 F F16 1 2.72444892 2.09588720 4.11481810 1 F F17 1 4.79299820 5.36688408 1.09175060 1 F F18 1 2.09588720 2.72444892 7.97745190 1 F F19 1 2.66977308 3.29833480 10.16095310 1 [/CIF]
F8O8S4
P4_12_12
92
tetragonal
422
1,926.645292
false
[CIF] data_LiNb4Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31180204 _cell_length_b 5.31180204 _cell_length_c 5.31180204 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNb4Co _chemical_formula_sum 'Li1 Nb4 Co1' _cell_volume 105.97676185 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.63401686 5.63401686 5.63401686 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 4.69510798 4.69510798 2.81691450 1 Nb Nb3 1 4.69510798 2.81691450 4.69510798 1 Nb Nb4 1 2.81691450 4.69510798 4.69510798 1 Nb Nb5 1 2.81691450 2.81691450 2.81691450 1 [/CIF]
CoLiNb4
F-43m
216
cubic
-43m
6,855.138388
false
[CIF] data_BePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54201970 _cell_length_b 4.54201970 _cell_length_c 3.63929205 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 142.31703132 _symmetry_Int_Tables_number 1 _chemical_formula_structural BePd _chemical_formula_sum 'Be2 Pd2' _cell_volume 45.89480408 _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 Be Be0 1 1.46684990 -0.69748464 2.72946904 1 Be Be1 1 1.46684990 0.69748464 0.90982301 1 Pd Pd2 1 1.46684990 -3.07536968 2.72946904 1 Pd Pd3 1 1.46684990 3.07536968 0.90982301 1 [/CIF]
Be2Pd2
Cmcm
63
orthorhombic
mmm
8,352.999936
false
[CIF] data_Fe2Ni(PO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89073508 _cell_length_b 4.64412900 _cell_length_c 10.09473836 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.83016727 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2Ni(PO4)2 _chemical_formula_sum 'Fe4 Ni2 P4 O16' _cell_volume 275.82828071 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 3.96288366 2.17123900 7.80813065 1 Fe Fe1 1 1.18019998 4.49330350 7.31550773 1 Fe Fe2 1 1.42941713 2.47289000 2.27429494 1 Fe Fe3 1 4.21210081 0.15082550 2.76691785 1 Ni Ni4 1 -0.24921715 2.32206450 5.04121279 1 Ni Ni5 1 0.00000000 0.00000000 0.00000000 1 O O6 1 4.22141153 1.12408900 5.96507612 1 O O7 1 0.92167212 3.44615350 9.15856226 1 O O8 1 1.17088926 3.52004000 4.11734947 1 O O9 1 4.47062868 1.19797550 0.92386333 1 O O10 1 3.95860648 3.30684900 9.55661658 1 O O11 1 1.18447716 0.98478450 5.56702180 1 O O12 1 1.43369431 1.33728000 0.52580901 1 O O13 1 4.20782363 3.65934450 4.51540379 1 O O14 1 2.93364960 3.69924900 6.73420022 1 O O15 1 2.20943404 1.37718450 8.38943816 1 O O16 1 2.45865119 0.94488000 3.34822537 1 O O17 1 3.18286675 3.26694450 1.69298743 1 O O18 1 5.36829705 3.54705900 6.66138320 1 O O19 1 -0.22521340 1.22499450 8.46225518 1 O O20 1 0.02400374 1.09707000 3.42104239 1 O O21 1 5.61751419 3.41913450 1.62017041 1 P P22 1 4.13181671 4.24434900 5.94212719 1 P P23 1 1.01126694 1.92228450 9.18151119 1 P P24 1 1.26048409 0.39978000 4.14029839 1 P P25 1 4.38103385 2.72184450 0.90091440 1 [/CIF]
Fe4Ni2O16P4
P2_1/c
14
monoclinic
2/m
4,338.464526
false
[CIF] data_Li2TcW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.92725176 _cell_length_b 9.92725176 _cell_length_c 9.92725176 _cell_angle_alpha 15.45424342 _cell_angle_beta 15.45424342 _cell_angle_gamma 15.45424342 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TcW _chemical_formula_sum 'Li2 Tc1 W1' _cell_volume 60.52503691 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 21.98949154 1 Li Li1 1 -0.00000000 0.00000000 7.43114026 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 -0.00000000 -0.00000000 14.71031590 1 [/CIF]
Li2TcW
R-3m
166
trigonal
-3m
8,138.164621
false
[CIF] data_CaSnO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12316395 _cell_length_b 4.12316395 _cell_length_c 4.12316395 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSnO3 _chemical_formula_sum 'Ca1 Sn1 O3' _cell_volume 70.09577022 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 O O1 1 0.00000000 2.06158198 2.06158198 1 O O2 1 2.06158198 0.00000000 2.06158198 1 O O3 1 2.06158198 2.06158198 0.00000000 1 Sn Sn4 1 2.06158198 2.06158198 2.06158198 1 [/CIF]
CaO3Sn
Pm-3m
221
cubic
m-3m
4,898.677373
false
[CIF] data_LaMnIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33465454 _cell_length_b 5.33465454 _cell_length_c 5.33465454 _cell_angle_alpha 128.68396009 _cell_angle_beta 128.68396009 _cell_angle_gamma 75.51962955 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMnIn2 _chemical_formula_sum 'La1 Mn1 In2' _cell_volume 90.01203782 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 2.30989879 -0.00000000 2.10874810 1 In In1 1 -0.00000000 2.30989879 2.10874810 1 La La2 1 0.00000000 -0.00000000 4.21749620 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In2LaMn
I4/mmm
139
tetragonal
4/mmm
7,812.335945
false
[CIF] data_K4CuCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31503586 _cell_length_b 7.31503586 _cell_length_c 7.31503586 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K4CuCl _chemical_formula_sum 'K4 Cu1 Cl1' _cell_volume 276.77979307 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 2.58625573 2.58625573 2.58625573 1 K K2 1 3.87949270 3.87949270 6.46553022 1 K K3 1 3.87949270 6.46553022 3.87949270 1 K K4 1 6.46553022 3.87949270 3.87949270 1 K K5 1 6.46553022 6.46553022 6.46553022 1 [/CIF]
ClCuK4
F-43m
216
cubic
-43m
1,532.224303
false
[CIF] data_KCaNbFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97138062 _cell_length_b 4.97138062 _cell_length_c 4.97138062 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCaNbFe _chemical_formula_sum 'K1 Ca1 Nb1 Fe1' _cell_volume 86.87924691 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.27294543 5.27294543 5.27294542 1 Fe Fe1 1 1.75764848 1.75764848 1.75764848 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 3.51529695 3.51529695 3.51529695 1 [/CIF]
CaFeKNb
F-43m
216
cubic
-43m
4,356.423777
false
[CIF] data_HfTaTiNbMoC5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.36297172 _cell_length_b 8.36297172 _cell_length_c 8.36297172 _cell_angle_alpha 158.26739698 _cell_angle_beta 148.95789806 _cell_angle_gamma 38.21354889 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaTiNbMoC5 _chemical_formula_sum 'Hf1 Ta1 Ti1 Nb1 Mo1 C5' _cell_volume 111.52153296 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -0.00000000 -0.00000000 7.94397391 1 C C1 1 -0.00000000 0.00000000 1.59301607 1 C C2 1 -0.00000000 0.00000000 11.09086159 1 C C3 1 -0.00000000 0.00000000 4.68519753 1 C C4 1 -0.00000000 0.00000000 14.20466316 1 Hf Hf5 1 1.57656963 0.00000000 6.31562068 1 Mo Mo6 1 -0.00000000 2.23786771 1.59999788 1 Nb Nb7 1 1.57656963 0.00000000 0.03422705 1 Ta Ta8 1 1.57656963 0.00000000 3.13807556 1 Ti Ti9 1 -0.00000000 2.23786771 4.71016835 1 [/CIF]
C5HfMoNbTaTi
Imm2
44
orthorhombic
mm2
9,771.089238
false
[CIF] data_BaSr2La _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58274570 _cell_length_b 6.58274570 _cell_length_c 6.58274570 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSr2La _chemical_formula_sum 'Ba1 Sr2 La1' _cell_volume 201.70015661 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.65470412 4.65470412 4.65470412 1 La La1 1 6.98205618 6.98205618 6.98205618 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 2.32735206 2.32735206 2.32735206 1 [/CIF]
BaLaSr2
F-43m
216
cubic
-43m
3,716.8423
false
[CIF] data_Ge2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54343754 _cell_length_b 5.54343754 _cell_length_c 5.54343754 _cell_angle_alpha 144.11664333 _cell_angle_beta 144.11664333 _cell_angle_gamma 51.65290550 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge2As _chemical_formula_sum 'Ge2 As1' _cell_volume 58.20170195 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 0.00000000 0.00000000 6.53044192 1 Ge Ge2 1 -0.00000000 0.00000000 3.44905096 1 [/CIF]
AsGe2
I4/mmm
139
tetragonal
4/mmm
6,282.520048
false
[CIF] data_LiGe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75181813 _cell_length_b 4.75181813 _cell_length_c 4.57342941 _cell_angle_alpha 96.38998010 _cell_angle_beta 96.38998010 _cell_angle_gamma 38.35912466 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiGe2Pt _chemical_formula_sum 'Li1 Ge2 Pt1' _cell_volume 63.63983807 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.09109016 -0.00000000 0.10345090 1 Ge Ge1 1 1.82666210 -0.00000000 3.28282026 1 Li Li2 1 4.16512942 -0.00000000 2.26998507 1 Pt Pt3 1 6.57293350 -0.00000000 1.15609392 1 [/CIF]
Ge2LiPt
Cm
8
monoclinic
m
9,062.146259
false
[CIF] data_Cr2CoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.59439372 _cell_length_b 3.58537636 _cell_length_c 5.14007246 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2CoRu _chemical_formula_sum 'Cr2 Co1 Ru1' _cell_volume 47.81232648 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 1.29719686 1.79268818 1.20684183 1 Cr Cr2 1 1.29719686 1.79268818 3.93323063 1 Ru Ru3 1 0.00000000 0.00000000 2.57003623 1 [/CIF]
CoCr2Ru
Pmmm
47
orthorhombic
mmm
9,168.653756
false
[CIF] data_CaHfP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77551880 _cell_length_b 4.77551880 _cell_length_c 4.77551880 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHfP _chemical_formula_sum 'Ca1 Hf1 P1' _cell_volume 77.00992148 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 1.68840087 1.68840087 1.68840087 1 Hf Hf1 1 3.37680173 3.37680173 3.37680173 1 P P2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CaHfP
F-43m
216
cubic
-43m
5,380.785184
false
[CIF] data_MnCdAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09011452 _cell_length_b 5.09011452 _cell_length_c 5.09011452 _cell_angle_alpha 131.89073289 _cell_angle_beta 131.89073289 _cell_angle_gamma 70.40165724 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCdAu2 _chemical_formula_sum 'Mn1 Cd1 Au2' _cell_volume 71.61792720 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.07476914 -0.00000000 2.07965934 1 Au Au1 1 0.00000000 -0.00000000 4.15931868 1 Cd Cd2 1 -0.00000000 2.07476914 2.07965934 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2CdMn
I-4m2
119
tetragonal
-42m
13,013.934203
false
[CIF] data_NaMgCdIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70198551 _cell_length_b 4.70198551 _cell_length_c 4.70198551 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMgCdIr _chemical_formula_sum 'Na1 Mg1 Cd1 Ir1' _cell_volume 73.50702764 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66240292 1.66240292 1.66240292 1 Ir Ir1 1 4.98720876 4.98720876 4.98720876 1 Mg Mg2 1 3.32480584 3.32480584 3.32480584 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdIrMgNa
F-43m
216
cubic
-43m
7,950.008667
false
[CIF] data_Y4TlCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15081806 _cell_length_b 6.15081806 _cell_length_c 6.15081806 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y4TlCr _chemical_formula_sum 'Y4 Tl1 Cr1' _cell_volume 164.54460398 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tl Tl1 1 2.17464258 2.17464258 2.17464258 1 Y Y2 1 3.25211668 3.25211668 5.44645364 1 Y Y3 1 3.25211668 5.44645364 3.25211668 1 Y Y4 1 5.44645364 3.25211668 3.25211668 1 Y Y5 1 5.44645364 5.44645364 5.44645364 1 [/CIF]
CrTlY4
F-43m
216
cubic
-43m
6,176.1646
false
[CIF] data_LiHfNb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49078345 _cell_length_b 5.49078345 _cell_length_c 5.49078345 _cell_angle_alpha 143.64894780 _cell_angle_beta 132.26035207 _cell_angle_gamma 61.45159755 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHfNb2 _chemical_formula_sum 'Li1 Hf1 Nb2' _cell_volume 71.84835269 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.71999990 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 1.71273519 0.00000000 2.21470693 1 Nb Nb3 1 -0.00000000 2.22190054 2.50529297 1 [/CIF]
HfLiNb2
Immm
71
orthorhombic
mmm
8,580.186378
false