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_La2PbCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.25724976 _cell_length_b 7.25724976 _cell_length_c 7.25724976 _cell_angle_alpha 37.39474711 _cell_angle_beta 37.39474711 _cell_angle_gamma 37.39474711 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2PbCl _chemical_formula_sum 'La2 Pb1 Cl1' _cell_volume 126.40138660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 -0.00000000 0.00000000 5.15947646 1 La La2 1 0.00000000 -0.00000000 15.06576619 1 Pb Pb3 1 -0.00000000 -0.00000000 10.11262132 1 [/CIF]
ClLa2Pb
R-3m
166
trigonal
-3m
6,894.712745
false
[CIF] data_ZrTcBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.39953178 _cell_length_b 9.39953178 _cell_length_c 9.39953178 _cell_angle_alpha 20.68178834 _cell_angle_beta 20.68178834 _cell_angle_gamma 20.68178834 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTcBi2 _chemical_formula_sum 'Zr1 Tc1 Bi2' _cell_volume 90.68260753 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.64512406 1 Bi Bi1 1 -0.00000000 0.00000000 20.94108138 1 Tc Tc2 1 -0.00000000 -0.00000000 13.79310272 1 Zr Zr3 1 0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Bi2TcZr
R-3m
166
trigonal
-3m
11,135.088492
false
[CIF] data_Na2VSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81162547 _cell_length_b 4.81162547 _cell_length_c 4.81162547 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2VSi _chemical_formula_sum 'Na2 V1 Si1' _cell_volume 78.76992794 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.10349950 5.10349950 5.10349950 1 Na Na1 1 1.70116650 1.70116650 1.70116650 1 Si Si2 1 -0.00000000 -0.00000000 -0.00000000 1 V V3 1 3.40233300 3.40233300 3.40233300 1 [/CIF]
Na2SiV
Fm-3m
225
cubic
m-3m
2,635.247312
false
[CIF] data_CaAgAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27279514 _cell_length_b 3.27279514 _cell_length_c 7.97446505 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.91091243 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAgAs2 _chemical_formula_sum 'Ca1 Ag1 As2' _cell_volume 85.36849323 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 3.98723252 1 As As1 1 2.27530413 0.00000000 5.86172105 1 As As2 1 2.27530413 0.00000000 2.11274400 1 Ca Ca3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgAs2Ca
Cmmm
65
orthorhombic
mmm
5,792.428958
false
[CIF] data_ErAl2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76213955 _cell_length_b 4.76213955 _cell_length_c 4.76213955 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErAl2Ag _chemical_formula_sum 'Er1 Al2 Ag1' _cell_volume 76.36447223 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Al Al1 1 1.68367058 1.68367058 1.68367058 1 Al Al2 1 5.05101175 5.05101175 5.05101175 1 Er Er3 1 3.36734117 3.36734117 3.36734117 1 [/CIF]
AgAl2Er
Fm-3m
225
cubic
m-3m
7,156.040574
false
[CIF] data_BaSrNbMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27937941 _cell_length_b 5.27937941 _cell_length_c 5.27937941 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrNbMo _chemical_formula_sum 'Ba1 Sr1 Nb1 Mo1' _cell_volume 104.04797316 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.59962747 5.59962747 5.59962747 1 Mo Mo1 1 3.73308498 3.73308498 3.73308498 1 Nb Nb2 1 1.86654249 1.86654249 1.86654249 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaMoNbSr
F-43m
216
cubic
-43m
6,604.196727
false
[CIF] data_CrCo2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98492289 _cell_length_b 3.98492289 _cell_length_c 3.98492289 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCo2Si _chemical_formula_sum 'Cr1 Co2 Si1' _cell_volume 44.74502645 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.81776600 2.81776600 2.81776600 1 Co Co1 1 4.22664900 4.22664900 4.22664900 1 Co Co2 1 1.40888300 1.40888300 1.40888300 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2CrSi
Fm-3m
225
cubic
m-3m
7,346.076125
false
[CIF] data_KTi2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.41962672 _cell_length_b 8.41962672 _cell_length_c 8.41962672 _cell_angle_alpha 159.55234473 _cell_angle_beta 152.80463513 _cell_angle_gamma 34.26472385 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTi2Fe _chemical_formula_sum 'K1 Ti2 Fe1' _cell_volume 95.20688331 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49443342 -0.00000000 7.63695820 1 K K1 1 -0.00000000 -0.00000000 10.86208526 1 Ti Ti2 1 -0.00000000 1.97947780 7.79805579 1 Ti Ti3 1 0.00000000 -0.00000000 5.88698376 1 [/CIF]
FeKTi2
Imm2
44
orthorhombic
mm2
3,325.674518
false
[CIF] data_MgP2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25762669 _cell_length_b 4.13595874 _cell_length_c 5.31085612 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgP2Au _chemical_formula_sum 'Mg1 P2 Au1' _cell_volume 71.55533973 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62881335 2.06797937 2.65542806 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 1.62881335 2.06797937 0.00000000 1 P P3 1 0.00000000 0.00000000 2.65542806 1 [/CIF]
AuMgP2
Pmmm
47
orthorhombic
mmm
6,572.484599
false
[CIF] data_HfBeSnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51614102 _cell_length_b 4.51614102 _cell_length_c 4.51614102 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBeSnOs _chemical_formula_sum 'Hf1 Be1 Sn1 Os1' _cell_volume 65.13096099 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 4.79009091 4.79009091 4.79009091 1 Os Os2 1 1.59669697 1.59669697 1.59669697 1 Sn Sn3 1 3.19339394 3.19339394 3.19339394 1 [/CIF]
BeHfOsSn
F-43m
216
cubic
-43m
12,656.985634
false
[CIF] data_CrGaRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69893143 _cell_length_b 2.69893143 _cell_length_c 8.62387179 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.38231998 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGaRe2 _chemical_formula_sum 'Cr1 Ga1 Re2' _cell_volume 57.65945623 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 4.32148864 1 Ga Ga1 1 1.48212296 0.00000000 2.25270804 1 Re Re2 1 0.00000000 0.00000000 0.00159145 1 Re Re3 1 1.48212296 0.00000000 6.36001955 1 [/CIF]
CrGaRe2
Cmm2
35
orthorhombic
mm2
14,230.576739
false
[CIF] data_NiRu2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24617339 _cell_length_b 4.24617339 _cell_length_c 4.24617339 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiRu2Rh _chemical_formula_sum 'Ni1 Ru2 Rh1' _cell_volume 54.13500435 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.00249800 3.00249800 3.00249800 1 Ru Ru2 1 4.50374700 4.50374700 4.50374700 1 Ru Ru3 1 1.50124900 1.50124900 1.50124900 1 [/CIF]
NiRhRu2
Fm-3m
225
cubic
m-3m
11,157.340075
false
[CIF] data_Hf2BeRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21428569 _cell_length_b 3.21428569 _cell_length_c 6.49656144 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2BeRe _chemical_formula_sum 'Hf2 Be1 Re1' _cell_volume 67.12008529 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.55770348 1 Hf Hf1 1 1.60714285 1.60714285 6.20387641 1 Hf Hf2 1 0.00000000 0.00000000 1.84116085 1 Re Re3 1 1.60714285 1.60714285 3.63866286 1 [/CIF]
BeHf2Re
P4mm
99
tetragonal
4mm
13,661.310326
false
[CIF] data_Sr2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27855468 _cell_length_b 4.27855468 _cell_length_c 7.16222820 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Ni _chemical_formula_sum 'Sr2 Ni1' _cell_volume 113.54629255 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 -0.00000000 2.47022469 5.51229448 1 Sr Sr2 1 2.13927734 1.23511235 1.64993372 1 [/CIF]
NiSr2
P-3m1
164
trigonal
-3m
3,421.120503
false
[CIF] data_Nb2CdP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96598825 _cell_length_b 4.72428996 _cell_length_c 5.30208117 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.85971974 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2CdP _chemical_formula_sum 'Nb2 Cd1 P1' _cell_volume 72.96326433 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.07668620 2.36214498 3.98785578 1 Nb Nb1 1 2.69141244 0.00000000 0.07765167 1 Nb Nb2 1 1.71572119 2.36214498 1.46532170 1 P P3 1 1.43274243 0.00000000 2.27986347 1 [/CIF]
CdNb2P
Pm
6
monoclinic
m
7,492.062628
false
[CIF] data_AsOs2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85342398 _cell_length_b 4.85342398 _cell_length_c 4.85342398 _cell_angle_alpha 131.52579312 _cell_angle_beta 131.52579312 _cell_angle_gamma 70.97902419 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsOs2Se _chemical_formula_sum 'As1 Os2 Se1' _cell_volume 62.74838421 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 1.99239663 -0.00000000 1.97588181 1 Os Os2 1 0.00000000 -0.00000000 3.95176362 1 Se Se3 1 0.00000000 1.99239663 1.97588181 1 [/CIF]
AsOs2Se
I-4m2
119
tetragonal
-42m
14,140.525097
false
[CIF] data_ZrPb2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69445998 _cell_length_b 7.69445998 _cell_length_c 7.69445998 _cell_angle_alpha 155.29179935 _cell_angle_beta 143.04454306 _cell_angle_gamma 44.96395433 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPb2Br _chemical_formula_sum 'Zr1 Pb2 Br1' _cell_volume 114.17104733 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 1.64625161 0.00000000 4.32430230 1 Pb Pb2 1 0.00000000 2.43865143 2.78537766 1 Zr Zr3 1 0.00000000 0.00000000 7.10967997 1 [/CIF]
BrPb2Zr
Immm
71
orthorhombic
mmm
8,516.106032
false
[CIF] data_NbPbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63363716 _cell_length_b 3.63363716 _cell_length_c 6.98506421 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbPbSe2 _chemical_formula_sum 'Nb1 Pb1 Se2' _cell_volume 92.22603107 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.77305128 1 Pb Pb1 1 1.81681858 1.81681858 5.35668564 1 Se Se2 1 0.00000000 0.00000000 0.16709279 1 Se Se3 1 1.81681858 1.81681858 2.18076659 1 [/CIF]
NbPbSe2
P4mm
99
tetragonal
4mm
8,246.811542
false
[CIF] data_Zn3Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74360801 _cell_length_b 2.74360801 _cell_length_c 7.75989537 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn3Os _chemical_formula_sum 'Zn3 Os1' _cell_volume 58.41171940 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 3.87994768 1 Zn Zn1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 1.37180401 1.37180401 5.75806445 1 Zn Zn3 1 1.37180401 1.37180401 2.00183092 1 [/CIF]
OsZn3
P4/mmm
123
tetragonal
4/mmm
10,983.797185
false
[CIF] data_Ti2HgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68551260 _cell_length_b 4.68551260 _cell_length_c 4.68551260 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2HgAu _chemical_formula_sum 'Ti2 Hg1 Au1' _cell_volume 72.73715853 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.31315773 3.31315773 3.31315773 1 Hg Hg1 1 1.65657886 1.65657887 1.65657886 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 4.96973659 4.96973659 4.96973659 1 [/CIF]
AuHgTi2
F-43m
216
cubic
-43m
11,261.482819
false
[CIF] data_CrRePbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53123619 _cell_length_b 4.53123619 _cell_length_c 4.53123619 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrRePbW _chemical_formula_sum 'Cr1 Re1 Pb1 W1' _cell_volume 65.78624593 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 3.20406784 3.20406784 3.20406784 1 Re Re2 1 1.60203392 1.60203392 1.60203392 1 W W3 1 4.80610176 4.80610176 4.80610176 1 [/CIF]
CrPbReW
F-43m
216
cubic
-43m
15,882.997048
false
[CIF] data_YMgSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47803226 _cell_length_b 6.47803226 _cell_length_c 6.47803226 _cell_angle_alpha 150.18227737 _cell_angle_beta 150.18227737 _cell_angle_gamma 42.67390542 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMgSi _chemical_formula_sum 'Y1 Mg1 Si1' _cell_volume 67.04581208 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.76423297 1 Si Si1 1 -0.00000000 0.00000000 4.10237251 1 Y Y2 1 0.00000000 0.00000000 8.26942221 1 [/CIF]
MgSiY
I4mm
107
tetragonal
4mm
3,499.519237
false
[CIF] data_AlInRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42172938 _cell_length_b 4.42172938 _cell_length_c 3.13498078 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlInRu2 _chemical_formula_sum 'Al1 In1 Ru2' _cell_volume 61.29417459 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 2.21086469 2.21086469 0.00000000 1 Ru Ru2 1 2.21086469 0.00000000 1.56749039 1 Ru Ru3 1 0.00000000 2.21086469 1.56749039 1 [/CIF]
AlInRu2
P4/mmm
123
tetragonal
4/mmm
9,317.770313
false
[CIF] data_Cd3PdC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19989521 _cell_length_b 5.19989521 _cell_length_c 5.19989521 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd3PdC _chemical_formula_sum 'Cd3 Pd1 C1' _cell_volume 140.59949961 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 2.59994761 2.59994761 2.59994761 1 Cd Cd2 1 2.59994761 0.00000000 2.59994761 1 Cd Cd3 1 2.59994761 2.59994761 0.00000000 1 Cd Cd4 1 0.00000000 2.59994761 2.59994761 1 [/CIF]
CCd3Pd
Pm-3m
221
cubic
m-3m
5,381.579431
false
[CIF] data_GePb3O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39641600 _cell_length_b 10.63445900 _cell_length_c 5.61798309 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.28053206 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GePb3O5 _chemical_formula_sum 'Ge2 Pb6 O10' _cell_volume 321.87629648 _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 Ge Ge0 1 5.09168350 2.58787433 3.07075493 1 Ge Ge1 1 -0.01675550 7.90510383 2.53802207 1 Pb Pb2 1 5.24855297 0.01477126 0.26843607 1 Pb Pb3 1 -0.17362497 5.33200076 5.34034093 1 Pb Pb4 1 2.35600012 7.94812022 5.53784280 1 Pb Pb5 1 2.62533127 5.49299584 2.81102368 1 Pb Pb6 1 2.44959673 0.17576634 2.79775332 1 Pb Pb7 1 2.71892788 2.63089072 0.07093420 1 O O8 1 4.83928781 4.33697697 2.96342537 1 O O9 1 2.01629066 0.53081902 0.53634491 1 O O10 1 4.37120282 1.71719927 1.68188713 1 O O11 1 0.70372518 7.03442877 3.92688987 1 O O12 1 0.23564019 9.65420647 2.64535163 1 O O13 1 3.05863734 5.84804852 5.07243209 1 O O14 1 1.43370094 2.22780218 3.28221704 1 O O15 1 4.25878343 1.93056905 4.52007973 1 O O16 1 3.64122706 7.54503168 2.32655996 1 O O17 1 0.81614457 7.24779855 1.08869727 1 [/CIF]
Ge2O10Pb6
P2_1
4
monoclinic
2
7,988.477557
false
[CIF] data_Sr2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.10303775 _cell_length_b 6.81429517 _cell_length_c 2.53895468 _cell_angle_alpha 85.97672043 _cell_angle_beta 73.13386279 _cell_angle_gamma 20.88941677 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Au _chemical_formula_sum 'Sr2 Au1' _cell_volume 33.89517635 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Sr Sr1 1 1.10176318 2.28744590 8.99848120 1 Sr Sr2 1 1.10176318 2.28744590 4.45079188 1 [/CIF]
AuSr2
Fmmm
69
orthorhombic
mmm
18,234.557696
false
[CIF] data_HfSc2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18149464 _cell_length_b 3.18149464 _cell_length_c 7.80354199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSc2Be _chemical_formula_sum 'Hf1 Sc2 Be1' _cell_volume 78.98673522 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.94155056 1 Hf Hf1 1 1.59074732 1.59074732 5.50412760 1 Sc Sc2 1 0.00000000 0.00000000 7.68860050 1 Sc Sc3 1 1.59074732 1.59074732 2.37457631 1 [/CIF]
BeHfSc2
P4mm
99
tetragonal
4mm
5,832.077921
false
[CIF] data_Ba2ScIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74724800 _cell_length_b 3.74724800 _cell_length_c 9.89950750 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2ScIr _chemical_formula_sum 'Ba2 Sc1 Ir1' _cell_volume 139.00757299 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.87362400 1.87362400 3.10633775 1 Ba Ba1 1 1.87362400 1.87362400 6.79316975 1 Ir Ir2 1 0.00000000 0.00000000 4.94975375 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2IrSc
P4/mmm
123
tetragonal
4/mmm
6,115.056001
false
[CIF] data_SiNi2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90745874 _cell_length_b 2.90745874 _cell_length_c 4.72490414 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiNi2B _chemical_formula_sum 'Si1 Ni2 B1' _cell_volume 39.94110930 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 3.73455034 1 Ni Ni1 1 1.45372937 1.45372937 4.48404776 1 Ni Ni2 1 0.00000000 0.00000000 1.28785295 1 Si Si3 1 1.45372937 1.45372937 2.30580930 1 [/CIF]
BNi2Si
P4mm
99
tetragonal
4mm
6,497.429081
false
[CIF] data_ScZnCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81086621 _cell_length_b 4.81086621 _cell_length_c 4.81086621 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScZnCd2 _chemical_formula_sum 'Sc1 Zn1 Cd2' _cell_volume 78.73264471 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.40179612 3.40179612 3.40179612 1 Cd Cd1 1 1.70089806 1.70089806 1.70089806 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 5.10269418 5.10269418 5.10269418 1 [/CIF]
Cd2ScZn
F-43m
216
cubic
-43m
7,068.768088
false
[CIF] data_Sr2SiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79304444 _cell_length_b 4.79304444 _cell_length_c 4.23458108 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2SiIr _chemical_formula_sum 'Sr2 Si1 Ir1' _cell_volume 97.28219568 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.39652222 2.39652222 0.00000000 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 0.00000000 2.39652222 2.11729054 1 Sr Sr3 1 2.39652222 0.00000000 2.11729054 1 [/CIF]
IrSiSr2
P4/mmm
123
tetragonal
4/mmm
6,751.633937
false
[CIF] data_Sr2CaHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93282838 _cell_length_b 5.93282838 _cell_length_c 5.93282838 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2CaHg _chemical_formula_sum 'Sr2 Ca1 Hg1' _cell_volume 147.66254838 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 2.09757159 2.09757159 2.09757159 1 Sr Sr2 1 4.19514318 4.19514318 4.19514318 1 Sr Sr3 1 6.29271477 6.29271477 6.29271477 1 [/CIF]
CaHgSr2
F-43m
216
cubic
-43m
4,677.093073
false
[CIF] data_YTiCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28731293 _cell_length_b 5.08044194 _cell_length_c 5.38759289 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.81991920 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTiCd2 _chemical_formula_sum 'Y1 Ti1 Cd2' _cell_volume 89.96898941 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.78976364 0.00000000 5.14527003 1 Cd Cd1 1 2.84249235 2.54022097 1.66368550 1 Ti Ti2 1 1.26299945 0.00000000 2.32159871 1 Y Y3 1 1.13028842 2.54022097 4.33704884 1 [/CIF]
Cd2TiY
Pm
6
monoclinic
m
6,673.881508
false
[CIF] data_LaGe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43315075 _cell_length_b 3.43315075 _cell_length_c 7.22242014 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGe2W _chemical_formula_sum 'La1 Ge2 W1' _cell_volume 85.12722884 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.96603130 1 Ge Ge1 1 1.71657537 1.71657537 1.41171807 1 La La2 1 0.00000000 0.00000000 3.67469103 1 W W3 1 1.71657537 1.71657537 6.00360995 1 [/CIF]
Ge2LaW
P4mm
99
tetragonal
4mm
9,129.95483
false
[CIF] data_Sr2CdAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52643547 _cell_length_b 5.52643547 _cell_length_c 5.52643547 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2CdAs _chemical_formula_sum 'Sr2 Cd1 As1' _cell_volume 119.34942011 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 3.90778000 3.90778000 3.90778000 1 Sr Sr2 1 5.86167000 5.86167000 5.86167000 1 Sr Sr3 1 1.95389000 1.95389000 1.95389000 1 [/CIF]
AsCdSr2
Fm-3m
225
cubic
m-3m
5,044.565497
false
[CIF] data_Zr2RePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29890618 _cell_length_b 3.27936610 _cell_length_c 8.07781503 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.04621388 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2RePb _chemical_formula_sum 'Zr2 Re1 Pb1' _cell_volume 87.33267381 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.14421153 0.00000000 4.03633211 1 Re Re1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.64198499 1.63968305 1.60561618 1 Zr Zr3 1 1.36849813 1.63968305 6.46704804 1 [/CIF]
PbReZr2
P2/m
10
monoclinic
2/m
10,949.278002
false
[CIF] data_K3NaMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79944831 _cell_length_b 6.79944831 _cell_length_c 6.79944831 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3NaMn _chemical_formula_sum 'K3 Na1 Mn1' _cell_volume 314.35547577 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 0.00000000 3.39972415 0.00000000 1 K K2 1 0.00000000 0.00000000 3.39972415 1 K K3 1 3.39972415 0.00000000 0.00000000 1 Mn Mn4 1 3.39972415 3.39972415 3.39972415 1 [/CIF]
K3MnNa
Pm-3m
221
cubic
m-3m
1,031.236828
false
[CIF] data_SrYNbIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97283664 _cell_length_b 4.97283664 _cell_length_c 4.97283664 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrYNbIr _chemical_formula_sum 'Sr1 Y1 Nb1 Ir1' _cell_volume 86.95560484 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 3.51632651 3.51632651 3.51632651 1 Nb Nb1 1 1.75816326 1.75816325 1.75816325 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 5.27448977 5.27448977 5.27448977 1 [/CIF]
IrNbSrY
F-43m
216
cubic
-43m
8,815.838644
false
[CIF] data_NaMgSnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79589368 _cell_length_b 4.79589368 _cell_length_c 4.79589368 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMgSnPd _chemical_formula_sum 'Na1 Mg1 Sn1 Pd1' _cell_volume 77.99982729 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69560447 1.69560447 1.69560447 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 3.39120894 3.39120894 3.39120894 1 Sn Sn3 1 5.08681341 5.08681341 5.08681341 1 [/CIF]
MgNaPdSn
F-43m
216
cubic
-43m
5,799.65351
false
[CIF] data_YMnB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86569644 _cell_length_b 2.86569644 _cell_length_c 5.62698990 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMnB2 _chemical_formula_sum 'Y1 Mn1 B2' _cell_volume 46.21005697 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.43284822 1.43284822 4.73903007 1 B B1 1 1.43284822 1.43284822 0.88795983 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 0.00000000 0.00000000 2.81349495 1 [/CIF]
B2MnY
P4/mmm
123
tetragonal
4/mmm
5,945.947719
false
[CIF] data_SrBe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15922675 _cell_length_b 3.15922675 _cell_length_c 6.89461034 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBe2Pt _chemical_formula_sum 'Sr1 Be2 Pt1' _cell_volume 68.81313174 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57961338 1.57961338 0.57621092 1 Be Be1 1 0.00000000 0.00000000 1.83516918 1 Pt Pt2 1 1.57961338 1.57961338 2.78927308 1 Sr Sr3 1 0.00000000 0.00000000 5.14126232 1 [/CIF]
Be2PtSr
P4mm
99
tetragonal
4mm
7,257.21215
false
[CIF] data_HfPdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51564397 _cell_length_b 4.51564397 _cell_length_c 2.91723165 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfPdPt _chemical_formula_sum 'Hf1 Pd1 Pt1' _cell_volume 51.51585759 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.60710827 0.03964512 1 Pd Pd1 1 0.00000000 0.00000000 0.86486895 1 Pt Pt2 1 2.25782196 1.30355414 2.01271758 1 [/CIF]
HfPdPt
P3m1
156
trigonal
3m
15,471.911498
false
[CIF] data_Eu2As3Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42990006 _cell_length_b 4.42990006 _cell_length_c 8.46865300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Eu2As3Pt _chemical_formula_sum 'Eu2 As3 Pt1' _cell_volume 143.92386921 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.55760399 6.28132696 1 Eu Eu1 1 -0.00000000 2.55760399 2.18732604 1 As As2 1 2.21495003 1.27880199 0.00000000 1 As As3 1 0.00000000 0.00000000 4.23432650 1 As As4 1 0.00000000 0.00000000 0.00000000 1 Pt Pt5 1 2.21495003 1.27880199 4.23432650 1 [/CIF]
As3Eu2Pt
P-6m2
187
hexagonal
-6m2
8,350.662531
false
[CIF] data_TaSbPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86437803 _cell_length_b 4.86437803 _cell_length_c 4.86437803 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSbPb _chemical_formula_sum 'Ta1 Sb1 Pb1' _cell_volume 81.38923316 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.43963469 3.43963469 3.43963469 1 Sb Sb1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 5.15945204 5.15945204 5.15945203 1 [/CIF]
PbSbTa
F-43m
216
cubic
-43m
10,403.365682
false
[CIF] data_SrLa2Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06616843 _cell_length_b 7.06616843 _cell_length_c 7.06616843 _cell_angle_alpha 146.78473744 _cell_angle_beta 129.67584253 _cell_angle_gamma 61.63662716 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLa2Sc _chemical_formula_sum 'Sr1 La2 Sc1' _cell_volume 147.28610302 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 -0.00000000 0.00000000 12.09530495 1 La La1 1 -0.00000000 3.00439588 2.72993558 1 Sc Sc2 1 -0.00000000 0.00000000 6.14163328 1 Sr Sr3 1 2.01962403 0.00000000 3.30672011 1 [/CIF]
La2ScSr
Imm2
44
orthorhombic
mm2
4,626.800398
false
[CIF] data_SiHgGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27415267 _cell_length_b 5.27415267 _cell_length_c 3.03913676 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.35709074 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiHgGe2 _chemical_formula_sum 'Si1 Hg1 Ge2' _cell_volume 79.75983792 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.52466047 2.15164636 1.51956838 1 Ge Ge1 1 1.52466047 -2.15164636 1.51956838 1 Hg Hg2 1 3.04932093 -0.00000000 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2HgSi
Cmmm
65
orthorhombic
mmm
7,785.468641
false
[CIF] data_YVP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47728588 _cell_length_b 7.36540778 _cell_length_c 13.33997178 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.31024568 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YVP3 _chemical_formula_sum 'Y4 V4 P12' _cell_volume 439.90628403 _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 P P0 1 2.25643082 1.74788551 3.35399312 1 P P1 1 2.18473854 5.43058940 3.31589499 1 P P2 1 2.14862202 5.61752227 9.98578310 1 P P3 1 2.22031430 1.93481838 10.02388123 1 P P4 1 1.11951406 1.97602946 8.08518941 1 P P5 1 3.24942226 5.65873335 11.92447492 1 P P6 1 3.28553878 5.38937832 5.25458681 1 P P7 1 1.15563058 1.70667443 1.41530130 1 P P8 1 3.32354342 5.65318138 1.41215044 1 P P9 1 1.11762594 1.97047749 5.25773767 1 P P10 1 1.08150942 1.71222640 11.92762578 1 P P11 1 3.28742690 5.39493029 8.08203855 1 V V12 1 2.23864294 0.00000000 0.00000000 1 V V13 1 2.20252642 3.68270389 6.66988811 1 V V14 1 -0.03611652 3.68270389 6.66988811 1 V V15 1 0.00000000 0.00000000 0.00000000 1 Y Y16 1 0.01524685 7.30864317 3.55283383 1 Y Y17 1 4.42592251 3.62593928 3.11705428 1 Y Y18 1 4.38980599 0.05676461 9.78694239 1 Y Y19 1 -0.02086967 3.73946850 10.22272194 1 [/CIF]
P12V4Y4
P2_1/c
14
monoclinic
2/m
3,514.579606
false
[CIF] data_TaVZnSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49672762 _cell_length_b 4.49672762 _cell_length_c 4.49672762 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaVZnSe _chemical_formula_sum 'Ta1 V1 Zn1 Se1' _cell_volume 64.29463667 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Se Se0 1 1.58983329 1.58983329 1.58983330 1 V V1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 4.76949989 4.76949989 4.76949989 1 Zn Zn3 1 3.17966659 3.17966659 3.17966659 1 [/CIF]
SeTaVZn
F-43m
216
cubic
-43m
9,716.884889
false
[CIF] data_HfV3Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51082591 _cell_length_b 4.51082591 _cell_length_c 4.51082591 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfV3Ir _chemical_formula_sum 'Hf1 V3 Ir1' _cell_volume 91.78425751 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.25541296 2.25541296 2.25541296 1 Hf Hf1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 0.00000000 2.25541296 0.00000000 1 V V3 1 0.00000000 0.00000000 2.25541296 1 V V4 1 2.25541296 0.00000000 0.00000000 1 [/CIF]
HfIrV3
Pm-3m
221
cubic
m-3m
9,471.608007
false
[CIF] data_ScPt2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.71095233 _cell_length_b 6.71095233 _cell_length_c 6.71095233 _cell_angle_alpha 34.67541317 _cell_angle_beta 34.67541317 _cell_angle_gamma 34.67541317 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScPt2Pb _chemical_formula_sum 'Sc1 Pt2 Pb1' _cell_volume 87.30088223 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 -0.00000000 9.45168578 1 Pt Pt1 1 -0.00000000 -0.00000000 14.06035896 1 Pt Pt2 1 -0.00000000 -0.00000000 4.84301261 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbPt2Sc
R-3m
166
trigonal
-3m
12,217.562085
false
[CIF] data_ZrZnIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26945716 _cell_length_b 6.26945716 _cell_length_c 6.26945716 _cell_angle_alpha 150.24833107 _cell_angle_beta 150.24833107 _cell_angle_gamma 42.57700194 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrZnIn _chemical_formula_sum 'Zr1 Zn1 In1' _cell_volume 60.53307465 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.56303909 1 Zn Zn1 1 0.00000000 -0.00000000 3.87938047 1 Zr Zr2 1 -0.00000000 0.00000000 7.92420105 1 [/CIF]
InZnZr
I4mm
107
tetragonal
4mm
7,445.629305
false
[CIF] data_TmSnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.64452189 _cell_length_b 7.64452189 _cell_length_c 3.68504700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmSnRh _chemical_formula_sum 'Tm3 Sn3 Rh3' _cell_volume 186.49806077 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tm Tm0 1 -1.53840652 2.66459825 0.00000000 1 Tm Tm1 1 2.28385443 3.95575190 0.00000000 1 Tm Tm2 1 3.07681304 0.00000000 0.00000000 1 Sn Sn3 1 1.01776489 1.76282050 1.84252350 1 Sn Sn4 1 -2.80449606 4.85752966 1.84252350 1 Sn Sn5 1 5.60899211 0.00000000 1.84252350 1 Rh Rh6 1 3.82226095 2.20678339 1.84252350 1 Rh Rh7 1 0.00000000 4.41356677 1.84252350 1 Rh Rh8 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Rh3Sn3Tm3
P-62m
189
hexagonal
-6m2
10,432.114753
false
[CIF] data_BeRuAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41593314 _cell_length_b 4.41593314 _cell_length_c 4.41593314 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeRuAu2 _chemical_formula_sum 'Be1 Ru1 Au2' _cell_volume 60.89091085 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.68380441 4.68380441 4.68380441 1 Au Au1 1 1.56126813 1.56126814 1.56126814 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 3.12253627 3.12253627 3.12253627 1 [/CIF]
Au2BeRu
Fm-3m
225
cubic
m-3m
13,744.861381
false
[CIF] data_HfTlV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97312457 _cell_length_b 4.97312457 _cell_length_c 5.20985756 _cell_angle_alpha 98.27610692 _cell_angle_beta 98.27610692 _cell_angle_gamma 34.79385218 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTlV2 _chemical_formula_sum 'Hf1 Tl1 V2' _cell_volume 72.68380551 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 0.00000000 1 Tl Tl1 1 4.35269875 0.00000000 2.57512221 1 V V2 1 1.73580621 0.00000000 3.93322200 1 V V3 1 6.96959130 0.00000000 1.21702243 1 [/CIF]
HfTlV2
C2/m
12
monoclinic
2/m
11,074.774749
false
[CIF] data_MgMoPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50525006 _cell_length_b 4.50525006 _cell_length_c 4.50525006 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMoPt2 _chemical_formula_sum 'Mg1 Mo1 Pt2' _cell_volume 64.66089420 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 3.18569287 3.18569287 3.18569287 1 Pt Pt2 1 4.77853930 4.77853930 4.77853930 1 Pt Pt3 1 1.59284644 1.59284643 1.59284643 1 [/CIF]
MgMoPt2
Fm-3m
225
cubic
m-3m
13,108.292854
false
[CIF] data_NbVBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08265964 _cell_length_b 5.08265964 _cell_length_c 5.08265964 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbVBr2 _chemical_formula_sum 'Nb1 V1 Br2' _cell_volume 92.84490741 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.79699155 1.79699155 1.79699155 1 Br Br1 1 3.59398310 3.59398310 3.59398310 1 Nb Nb2 1 5.39097465 5.39097465 5.39097465 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2NbV
F-43m
216
cubic
-43m
5,430.911244
false
[CIF] data_ZrCu2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52490552 _cell_length_b 4.52490552 _cell_length_c 4.52490552 _cell_angle_alpha 120.88833754 _cell_angle_beta 120.88833754 _cell_angle_gamma 88.46811983 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCu2Ag _chemical_formula_sum 'Zr1 Cu2 Ag1' _cell_volume 64.60621034 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 -0.00000000 3.24207691 1 Cu Cu1 1 2.23200663 0.00000000 1.62103846 1 Cu Cu2 1 -0.00000000 2.23200664 1.62103846 1 Zr Zr3 1 0.00000000 0.00000000 -0.00000000 1 [/CIF]
AgCu2Zr
I4/mmm
139
tetragonal
4/mmm
8,383.863316
false
[CIF] data_MgAgB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72623637 _cell_length_b 2.72623637 _cell_length_c 6.66990510 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAgB2 _chemical_formula_sum 'Mg1 Ag1 B2' _cell_volume 49.57316752 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.36311819 1.36311819 5.18658751 1 B B1 1 0.00000000 0.00000000 0.16806767 1 B B2 1 1.36311819 1.36311819 1.56175995 1 Mg Mg3 1 0.00000000 0.00000000 3.08844253 1 [/CIF]
AgB2Mg
P4mm
99
tetragonal
4mm
5,151.636473
false
[CIF] data_Ta2BiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64878295 _cell_length_b 4.65326071 _cell_length_c 4.71000867 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2BiAu _chemical_formula_sum 'Ta2 Bi1 Au1' _cell_volume 79.97000479 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82439148 0.00000000 2.35500433 1 Bi Bi1 1 0.00000000 2.32663035 2.35500433 1 Ta Ta2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.82439148 2.32663035 0.00000000 1 [/CIF]
AuBiTa2
Pmmm
47
orthorhombic
mmm
15,943.88861
false
[CIF] data_CdBPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81975501 _cell_length_b 3.39903175 _cell_length_c 6.74525654 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdBPt2 _chemical_formula_sum 'Cd1 B1 Pt2' _cell_volume 64.64948505 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.31826015 1 Cd Cd1 1 1.40987751 1.69951588 5.17952641 1 Pt Pt2 1 0.00000000 0.00000000 0.23758230 1 Pt Pt3 1 1.40987751 1.69951588 2.38251601 1 [/CIF]
BCdPt2
Pmm2
25
orthorhombic
mm2
13,186.557492
false
[CIF] data_Tc2AsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42072787 _cell_length_b 4.42072787 _cell_length_c 3.01433779 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2AsPd _chemical_formula_sum 'Tc2 As1 Pd1' _cell_volume 58.90870576 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 2.21036394 2.21036394 0.00000000 1 Tc Tc2 1 2.21036394 0.00000000 1.50716889 1 Tc Tc3 1 0.00000000 2.21036394 1.50716889 1 [/CIF]
AsPdTc2
P4/mmm
123
tetragonal
4/mmm
10,687.724693
false
[CIF] data_Ti2TlCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16964227 _cell_length_b 3.16964227 _cell_length_c 6.76669289 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2TlCr _chemical_formula_sum 'Ti2 Tl1 Cr1' _cell_volume 67.98247413 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 1.58482114 1.58482114 1.37462511 1 Ti Ti2 1 1.58482114 1.58482114 5.39206778 1 Tl Tl3 1 0.00000000 0.00000000 3.38334644 1 [/CIF]
CrTi2Tl
P4/mmm
123
tetragonal
4/mmm
8,600.717524
false
[CIF] data_TlNiBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23200567 _cell_length_b 5.23200567 _cell_length_c 3.70663752 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlNiBi2 _chemical_formula_sum 'Tl1 Ni1 Bi2' _cell_volume 101.46506302 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.61600284 0.00000000 1.85331876 1 Bi Bi1 1 0.00000000 2.61600284 1.85331876 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 2.61600284 2.61600284 0.00000000 1 [/CIF]
Bi2NiTl
P4/mmm
123
tetragonal
4/mmm
11,145.603628
false
[CIF] data_NbNiBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22018455 _cell_length_b 3.22018455 _cell_length_c 9.02889800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbNiBi2 _chemical_formula_sum 'Nb1 Ni1 Bi2' _cell_volume 93.62595719 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61009227 1.61009227 8.20123969 1 Bi Bi1 1 0.00000000 0.00000000 2.87082705 1 Nb Nb2 1 1.61009227 1.61009227 5.05304552 1 Ni Ni3 1 0.00000000 0.00000000 6.44713283 1 [/CIF]
Bi2NbNi
P4mm
99
tetragonal
4mm
10,101.660076
false
[CIF] data_HfMg3Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27935035 _cell_length_b 5.27935035 _cell_length_c 5.27935035 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMg3Ir _chemical_formula_sum 'Hf1 Mg3 Ir1' _cell_volume 147.14362508 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.63967517 0.00000000 1 Mg Mg1 1 0.00000000 0.00000000 2.63967517 1 Mg Mg2 1 2.63967517 0.00000000 0.00000000 1 Ir Ir3 1 2.63967517 2.63967517 2.63967517 1 Hf Hf4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfIrMg3
Pm-3m
221
cubic
m-3m
5,006.344389
false
[CIF] data_TiV2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68374661 _cell_length_b 2.68374661 _cell_length_c 8.94551745 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiV2Cd _chemical_formula_sum 'Ti1 V2 Cd1' _cell_volume 64.43005246 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.47275873 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.34187331 1.34187331 2.13348748 1 V V3 1 1.34187331 1.34187331 6.81202997 1 [/CIF]
CdTiV2
P4/mmm
123
tetragonal
4/mmm
6,756.607602
false
[CIF] data_MgV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11989831 _cell_length_b 5.11989831 _cell_length_c 7.01992987 _cell_angle_alpha 106.64024559 _cell_angle_beta 106.64024559 _cell_angle_gamma 36.01794779 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgV _chemical_formula_sum 'Mg3 V3' _cell_volume 103.18634320 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 4.91392119 0.00000000 5.41226812 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 2.71041230 0.00000000 1.28185478 1 V V3 1 5.56538214 -0.00000000 2.63703050 1 V V4 1 -1.05689805 0.00000000 3.34706145 1 V V5 1 2.05895134 0.00000000 4.05709241 1 [/CIF]
Mg3V3
C2/m
12
monoclinic
2/m
3,632.740991
false
[CIF] data_HgIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46108447 _cell_length_b 6.46108447 _cell_length_c 4.08386751 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 144.48258948 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgIr2 _chemical_formula_sum 'Hg2 Ir4' _cell_volume 99.04247233 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.97068890 -5.13815081 3.06290063 1 Hg Hg1 1 1.97068890 5.13815081 1.02096688 1 Ir Ir2 1 1.97068890 -1.18291113 3.06290063 1 Ir Ir3 1 1.97068890 1.18291113 1.02096688 1 Ir Ir4 1 1.97068890 3.09187696 3.06290063 1 Ir Ir5 1 1.97068890 -3.09187696 1.02096688 1 [/CIF]
Hg2Ir4
Cmcm
63
orthorhombic
mmm
19,616.941784
false
[CIF] data_Mn2TcSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35555018 _cell_length_b 4.35555018 _cell_length_c 4.35555018 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2TcSn _chemical_formula_sum 'Mn2 Tc1 Sn1' _cell_volume 58.42706460 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 4.61975860 4.61975860 4.61975860 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.53991954 1.53991954 1.53991953 1 Tc Tc3 1 3.07983907 3.07983907 3.07983907 1 [/CIF]
Mn2SnTc
F-43m
216
cubic
-43m
9,307.565685
false
[CIF] data_Y2CoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92431668 _cell_length_b 4.92431668 _cell_length_c 4.92431668 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2CoPb _chemical_formula_sum 'Y2 Co1 Pb1' _cell_volume 84.43508140 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 3.48201772 3.48201772 3.48201772 1 Y Y2 1 5.22302658 5.22302658 5.22302658 1 Y Y3 1 1.74100886 1.74100886 1.74100886 1 [/CIF]
CoPbY2
Fm-3m
225
cubic
m-3m
8,730.824076
false
[CIF] data_AlP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27021541 _cell_length_b 3.27021541 _cell_length_c 2.80914673 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlP _chemical_formula_sum 'Al1 P1' _cell_volume 30.04188261 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 1.63510770 1.63510770 1.40457336 1 [/CIF]
Al2P2
P4/mmm
123
tetragonal
4/mmm
3,203.443043
false
[CIF] data_Ag2BPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34217164 _cell_length_b 3.34217164 _cell_length_c 6.37435311 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2BPb _chemical_formula_sum 'Ag2 B1 Pb1' _cell_volume 71.20223331 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67108582 1.67108582 4.99308102 1 Ag Ag1 1 1.67108582 1.67108582 1.38127209 1 B B2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 0.00000000 0.00000000 3.18717656 1 [/CIF]
Ag2BPb
P4/mmm
123
tetragonal
4/mmm
10,116.582674
false
[CIF] data_MnCoAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.91120261 _cell_length_b 8.91120261 _cell_length_c 8.91120261 _cell_angle_alpha 17.88377100 _cell_angle_beta 17.88377100 _cell_angle_gamma 17.88377100 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCoAu2 _chemical_formula_sum 'Mn1 Co1 Au2' _cell_volume 58.26043682 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.56311844 1 Au Au1 1 -0.00000000 0.00000000 19.73638831 1 Co Co2 1 -0.00000000 -0.00000000 13.14975338 1 Mn Mn3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
Au2CoMn
R-3m
166
trigonal
-3m
14,473.441224
false
[CIF] data_GaSn2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25903448 _cell_length_b 3.25903448 _cell_length_c 8.02177521 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSn2Pd _chemical_formula_sum 'Ga1 Sn2 Pd1' _cell_volume 85.20172710 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.40633650 1 Pd Pd1 1 1.62951724 1.62951724 5.75256517 1 Sn Sn2 1 0.00000000 0.00000000 7.59788102 1 Sn Sn3 1 1.62951724 1.62951724 2.29765533 1 [/CIF]
GaPdSn2
P4mm
99
tetragonal
4mm
8,060.136119
false
[CIF] data_HfTlInRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83166267 _cell_length_b 4.83166267 _cell_length_c 4.83166267 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTlInRh _chemical_formula_sum 'Hf1 Tl1 In1 Rh1' _cell_volume 79.75810373 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 3.41650144 3.41650144 3.41650144 1 In In1 1 1.70825072 1.70825072 1.70825072 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 5.12475216 5.12475216 5.12475216 1 [/CIF]
HfInRhTl
F-43m
216
cubic
-43m
12,504.239732
false
[CIF] data_Sc2ZnSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54737228 _cell_length_b 5.54737228 _cell_length_c 5.54737228 _cell_angle_alpha 138.33547894 _cell_angle_beta 138.33547894 _cell_angle_gamma 60.38958368 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2ZnSi _chemical_formula_sum 'Sc2 Zn1 Si1' _cell_volume 74.64513358 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 -0.00000000 4.79470771 1 Sc Sc1 1 0.00000000 1.97283010 2.39735386 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 1.97283010 0.00000000 2.39735386 1 [/CIF]
Sc2SiZn
I-4m2
119
tetragonal
-42m
4,079.371231
false
[CIF] data_CuBiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34800722 _cell_length_b 4.34800722 _cell_length_c 4.34800722 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuBiIr _chemical_formula_sum 'Cu1 Bi1 Ir1' _cell_volume 58.12403718 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 4.61175809 4.61175809 4.61175809 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 1.53725270 1.53725270 1.53725270 1 [/CIF]
BiCuIr
F-43m
216
cubic
-43m
13,277.201809
false
[CIF] data_Ta2TlPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45499195 _cell_length_b 3.45499195 _cell_length_c 6.29498940 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2TlPd _chemical_formula_sum 'Ta2 Tl1 Pd1' _cell_volume 75.14309568 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.75462413 1 Ta Ta1 1 1.72749598 1.72749598 0.04436035 1 Ta Ta2 1 0.00000000 0.00000000 1.43993079 1 Tl Tl3 1 1.72749598 1.72749598 3.20356883 1 [/CIF]
PdTa2Tl
P4mm
99
tetragonal
4mm
14,865.544985
false
[CIF] data_Na2Se3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45171840 _cell_length_b 4.45171840 _cell_length_c 8.23447181 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2Se3 _chemical_formula_sum 'Na2 Se3' _cell_volume 141.32589643 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.22585920 1.28510041 1.23999625 1 Na Na1 1 0.00000000 2.57020082 6.99447556 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 2.22585920 1.28510041 4.44124294 1 Se Se4 1 0.00000000 2.57020082 3.79322887 1 [/CIF]
Na2Se3
P-3m1
164
trigonal
-3m
3,323.519088
false
[CIF] data_AlGa2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22094808 _cell_length_b 3.22094808 _cell_length_c 7.69466808 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlGa2Hg _chemical_formula_sum 'Al1 Ga2 Hg1' _cell_volume 79.82838427 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 1.61047404 1.61047404 1.72693644 1 Ga Ga2 1 1.61047404 1.61047404 5.96773164 1 Hg Hg3 1 0.00000000 0.00000000 3.84733404 1 [/CIF]
AlGa2Hg
P4/mmm
123
tetragonal
4/mmm
7,634.464439
false
[CIF] data_Ta2VW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79770812 _cell_length_b 4.50335674 _cell_length_c 5.33368569 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.74645105 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2VW _chemical_formula_sum 'Ta2 V1 W1' _cell_volume 66.22959934 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 0.02682158 2.25167837 3.95664546 1 Ta Ta1 1 1.86795512 2.25167837 1.30005673 1 V V2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.94738835 0.00000000 2.62835109 1 [/CIF]
Ta2VW
P2/m
10
monoclinic
2/m
14,960.167511
false
[CIF] data_LaBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.77872205 _cell_length_b 7.77872205 _cell_length_c 7.77872205 _cell_angle_alpha 28.58274070 _cell_angle_beta 28.58274070 _cell_angle_gamma 28.58274070 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBe _chemical_formula_sum 'La2 Be2' _cell_volume 95.23386919 _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 0.00000000 0.00000000 18.65117170 1 Be Be1 1 0.00000000 0.00000000 3.71689868 1 La La2 1 0.00000000 0.00000000 9.10484632 1 La La3 1 0.00000000 0.00000000 13.26322405 1 [/CIF]
Be2La2
R-3m
166
trigonal
-3m
5,158.312725
false
[CIF] data_Ag2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10110868 _cell_length_b 5.10110868 _cell_length_c 5.10110868 _cell_angle_alpha 135.79627693 _cell_angle_beta 135.79627693 _cell_angle_gamma 64.29545197 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2Sb _chemical_formula_sum 'Ag2 Sb1' _cell_volume 63.64079499 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.75890238 1 Ag Ag1 1 0.00000000 0.00000000 2.87910066 1 Sb Sb2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2Sb
I4/mmm
139
tetragonal
4/mmm
8,806.080395
false
[CIF] data_BaTiTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28922480 _cell_length_b 3.28922480 _cell_length_c 8.19623287 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTiTc2 _chemical_formula_sum 'Ba1 Ti1 Tc2' _cell_volume 88.67504166 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.64461240 1.64461240 6.31317255 1 Tc Tc1 1 0.00000000 0.00000000 0.74302293 1 Tc Tc2 1 1.64461240 1.64461240 1.95687027 1 Ti Ti3 1 0.00000000 0.00000000 3.28128347 1 [/CIF]
BaTc2Ti
P4mm
99
tetragonal
4mm
7,172.22206
false
[CIF] data_CuHgAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94049582 _cell_length_b 2.94049582 _cell_length_c 8.26261752 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuHgAu2 _chemical_formula_sum 'Cu1 Hg1 Au2' _cell_volume 71.44285201 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47024791 1.47024791 6.51050229 1 Au Au1 1 1.47024791 1.47024791 1.75211523 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Hg Hg3 1 0.00000000 0.00000000 4.13130876 1 [/CIF]
Au2CuHg
P4/mmm
123
tetragonal
4/mmm
15,297.467857
false
[CIF] data_Nb2SbRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04374396 _cell_length_b 3.04374396 _cell_length_c 7.75505095 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2SbRu _chemical_formula_sum 'Nb2 Sb1 Ru1' _cell_volume 71.84571794 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 1.52187198 1.52187198 6.02692362 1 Nb Nb1 1 1.52187198 1.52187198 1.72812733 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 0.00000000 0.00000000 3.87752548 1 [/CIF]
Nb2RuSb
P4/mmm
123
tetragonal
4/mmm
9,444.783722
false
[CIF] data_BeMo2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14383367 _cell_length_b 3.14383367 _cell_length_c 5.78119578 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeMo2Pd _chemical_formula_sum 'Be1 Mo2 Pd1' _cell_volume 57.13954775 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.34813615 1 Mo Mo1 1 1.57191683 1.57191683 5.72000807 1 Mo Mo2 1 0.00000000 0.00000000 1.29484968 1 Pd Pd3 1 1.57191683 1.57191683 3.08999555 1 [/CIF]
BeMo2Pd
P4mm
99
tetragonal
4mm
8,931.997635
false
[CIF] data_MgPbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63587477 _cell_length_b 3.63587477 _cell_length_c 6.60385824 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgPbAu2 _chemical_formula_sum 'Mg1 Pb1 Au2' _cell_volume 87.30026760 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.13580511 1 Au Au1 1 1.81793739 1.81793739 1.77259112 1 Mg Mg2 1 0.00000000 0.00000000 2.89156319 1 Pb Pb3 1 1.81793739 1.81793739 5.10582794 1 [/CIF]
Au2MgPb
P4mm
99
tetragonal
4mm
11,896.46367
false
[CIF] data_BeFe2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63024465 _cell_length_b 4.63024465 _cell_length_c 4.63024465 _cell_angle_alpha 133.07448407 _cell_angle_beta 133.07448407 _cell_angle_gamma 68.53719932 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeFe2Sn _chemical_formula_sum 'Be1 Fe2 Sn1' _cell_volume 52.01942660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 1.84354533 0.00000000 1.91323331 1 Fe Fe2 1 0.00000000 1.84354533 1.91323331 1 Sn Sn3 1 -0.00000000 0.00000000 3.82646661 1 [/CIF]
BeFe2Sn
I4/mmm
139
tetragonal
4/mmm
7,642.400295
false
[CIF] data_PrRhO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96116752 _cell_length_b 3.96116752 _cell_length_c 3.96116752 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrRhO3 _chemical_formula_sum 'Pr1 Rh1 O3' _cell_volume 62.15407775 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 1.98058376 1 O O1 1 1.98058376 0.00000000 0.00000000 1 O O2 1 0.00000000 1.98058376 0.00000000 1 Pr Pr3 1 1.98058376 1.98058376 1.98058376 1 Rh Rh4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
O3PrRh
Pm-3m
221
cubic
m-3m
7,796.176281
false
[CIF] data_TiCdIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47880761 _cell_length_b 4.47880761 _cell_length_c 4.47880761 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCdIr2 _chemical_formula_sum 'Ti1 Cd1 Ir2' _cell_volume 63.52902987 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.16699523 3.16699523 3.16699523 1 Ir Ir1 1 4.75049285 4.75049285 4.75049285 1 Ir Ir2 1 1.58349762 1.58349762 1.58349762 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdIr2Ti
Fm-3m
225
cubic
m-3m
14,237.830451
false
[CIF] data_ZrAu2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36678317 _cell_length_b 3.36678317 _cell_length_c 7.51630255 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAu2Br _chemical_formula_sum 'Zr1 Au2 Br1' _cell_volume 85.19900974 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68339158 1.68339158 5.49714182 1 Au Au1 1 1.68339158 1.68339158 2.01916073 1 Br Br2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 3.75815127 1 [/CIF]
Au2BrZr
P4/mmm
123
tetragonal
4/mmm
11,013.430307
false
[CIF] data_ScTiCoBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70433040 _cell_length_b 4.70433040 _cell_length_c 4.70433040 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTiCoBi _chemical_formula_sum 'Sc1 Ti1 Co1 Bi1' _cell_volume 73.61705698 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66323197 1.66323197 1.66323197 1 Co Co1 1 3.32646393 3.32646393 3.32646393 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 4.98969590 4.98969590 4.98969590 1 [/CIF]
BiCoScTi
F-43m
216
cubic
-43m
8,136.933032
false
[CIF] data_ScGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58249404 _cell_length_b 4.58249404 _cell_length_c 3.11557185 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScGe2 _chemical_formula_sum 'Sc1 Ge2' _cell_volume 65.42467724 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.29124702 1.55778592 1 Ge Ge1 1 2.29124702 0.00000000 1.55778592 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2Sc
P4/mmm
123
tetragonal
4/mmm
4,828.364114
false
[CIF] data_K2LiTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92766948 _cell_length_b 5.92766948 _cell_length_c 4.08899831 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2LiTc _chemical_formula_sum 'K2 Li1 Tc1' _cell_volume 143.67621910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 2.96383474 0.00000000 2.04449916 1 K K1 1 0.00000000 2.96383474 2.04449916 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 2.96383474 2.96383474 0.00000000 1 [/CIF]
K2LiTc
P4/mmm
123
tetragonal
4/mmm
2,127.08771
false
[CIF] data_LaY2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46750647 _cell_length_b 5.46750647 _cell_length_c 5.46750647 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaY2Sn _chemical_formula_sum 'La1 Y2 Sn1' _cell_volume 115.57207712 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.86611090 3.86611090 3.86611090 1 Sn Sn1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 1.93305545 1.93305545 1.93305545 1 Y Y3 1 5.79916635 5.79916635 5.79916635 1 [/CIF]
LaSnY2
Fm-3m
225
cubic
m-3m
6,256.215554
false
[CIF] data_ReTcHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98180266 _cell_length_b 2.98180266 _cell_length_c 8.38868965 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReTcHg2 _chemical_formula_sum 'Re1 Tc1 Hg2' _cell_volume 74.58507365 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49090133 1.49090133 8.15537007 1 Hg Hg1 1 0.00000000 0.00000000 2.32494463 1 Re Re2 1 1.49090133 1.49090133 4.52316451 1 Tc Tc3 1 0.00000000 0.00000000 5.96824482 1 [/CIF]
Hg2ReTc
P4mm
99
tetragonal
4mm
15,279.437066
false
[CIF] data_LiCrW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.56411643 _cell_length_b 4.17840678 _cell_length_c 5.40602170 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCrW2 _chemical_formula_sum 'Li1 Cr1 W2' _cell_volume 57.91969199 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.70301085 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.28205821 2.08920339 1.36192223 1 W W3 1 1.28205821 2.08920339 4.04409947 1 [/CIF]
CrLiW2
Pmmm
47
orthorhombic
mmm
12,230.975972
false
[CIF] data_MgCrAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67142317 _cell_length_b 6.67142317 _cell_length_c 6.67142317 _cell_angle_alpha 156.32857754 _cell_angle_beta 156.32857754 _cell_angle_gamma 33.72355799 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCrAg _chemical_formula_sum 'Mg1 Cr1 Ag1' _cell_volume 47.81761821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.69175886 1 Cr Cr1 1 0.00000000 0.00000000 4.26058229 1 Mg Mg2 1 0.00000000 0.00000000 8.58606137 1 [/CIF]
AgCrMg
I4mm
107
tetragonal
4mm
6,395.744313
false
[CIF] data_HfScBiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84144721 _cell_length_b 4.84144721 _cell_length_c 4.84144721 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfScBiOs _chemical_formula_sum 'Hf1 Sc1 Bi1 Os1' _cell_volume 80.24363677 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.42342015 3.42342015 3.42342015 1 Hf Hf1 1 1.71171008 1.71171008 1.71171008 1 Os Os2 1 5.13513023 5.13513023 5.13513023 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiHfOsSc
F-43m
216
cubic
-43m
12,885.07317
false