Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-14432 | GaTe4(MoSe)4 | data_[Ga4Te16Mo16Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.7783]
_cell_length_b... |
mp-18686 | ZrCr5P3 | data_[Zr2Cr10P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cr 1.6600 1.4000 0.9400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8882]
_cell_length_b [3.6540]
_cell_length_c [9.3548]
_c... |
mp-865460 | CaCeAg2 | data_[Ca4Ce4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ce 1.1200 1.8500 1.0800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4849]
_cell_length_b [7.4849]
_cell_length_c [7.4849]
_c... |
mp-26294 | MoP2O7 | data_[Mo2P4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.6962]
_cell_length_b [8.0863]
_cell_length_c [4.6663]
_cell_an... |
mp-15896 | Cu2SiSe3 | data_[Cu8Si4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.7360]
_cell_length_b [11.8273]
_cell_length_c [6.7552]
_ce... |
mp-1185190 | Li2YbIn | data_[Li8Yb4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Yb 1.1000 1.7500 1.0840
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0743]
_cell_length_b [7.0743]
_cell_length_c [7.0743]
_c... |
mp-1106223 | NdGe2Pt | data_[Nd8Ge16Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4448]
_cell_length_b [8.8815]
_cell_length_c [16.6283]
_... |
mp-975134 | KRhO3 | data_[K1Rh1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9916]
_cell_length_b [3.9916]
_cell_length_c [3.9916]
_cell_... |
mp-1948 | LaAg | data_[La1Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8428]
_cell_length_b [3.8428]
_cell_length_c [3.8428]
_cell_angle_alpha [90.0000]
_cell_... |
mp-30764 | LiPt2 | data_[Li8Pt16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.4520]
_cell_length_b [7.4520]
_cell_length_c [7.4520]
_cell_angle_alpha [90.0000]
_cell... |
mp-11980 | CsNbF6 | data_[Cs3Nb3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Nb 1.6000 1.4500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.1152]
_cell_length_b [8.1152]
_cell_length_c [8.3827]
_cell... |
mp-18852 | Na2MoO4 | data_[Na16Mo8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [9.2446]
_cell_length_b [9.2446]
_cell_length_c [9.2446]
_c... |
mp-1215738 | ZnNi4O5 | data_[Zn2Ni8O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.7242]
_cell_length_b [6.7242]
_cell_length_c [4.2516]
_cel... |
mp-3834 | BaZrO3 | data_[Ba1Zr1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2557]
_cell_length_b [4.2557]
_cell_length_c [4.2557]
_cel... |
mp-571453 | K2SnCl6 | data_[K4Sn2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sn 1.9600 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2382]
_cell_length_b [7.2288]
_cell_length_c [12.5407]
_... |
mp-867313 | LiTmPt2 | data_[Li4Tm4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5383]
_cell_length_b [6.5383]
_cell_length_c [6.5383]
_c... |
mp-1017591 | BaRuO3 | data_[Ba1Ru1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0637]
_cell_length_b [4.0637]
_cell_length_c [4.0637]
_cel... |
mp-1205835 | TbMgGa | data_[Tb3Mg3Ga3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.3514]
_cell_length_b [7.3514]
_cell_length_c [4.4162]
_c... |
mp-1103370 | Ce2Cd(SeO)2 | data_[Ce4Cd2Se4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cd 1.6900 1.5500 1.0900
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [3.9929]
_cell_length_b [3... |
mp-1111145 | K3CoF6 | data_[K12Co4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Co 1.8800 1.3500 0.7683
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.8707]
_cell_length_b [8.8707]
_cell_length_c [8.8707]
_cel... |
mp-1210565 | Na3GdV2O8 | data_[Na3Gd1V2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Gd 1.2000 1.8000 1.0750
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9586]
_cell_length_b [5.9586... |
mp-1211868 | La2MgSnO6 | data_[La4Mg2Sn2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6638]
_cell_length_b [5.... |
mp-1218117 | Ta3(InS3)2 | data_[Ta9In6S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
In 1.7800 1.5500 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [5.8324]
_cell_length_b [5.8324]
_cell_length_c [24.1933]
_cel... |
mp-1205345 | Sb2O3 | data_[Sb8O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3069]
_cell_length_b [4.8461]
_cell_length_c [10.8127]
_cell_angle_alpha [90.0000]
_cell... |
mp-865537 | TiMnCo2 | data_[Ti4Mn4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8423]
_cell_length_b [5.8423]
_cell_length_c [5.8423]
_c... |
mp-20362 | Mn3NiN | data_[Mn3Ni1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ni 1.9100 1.3500 0.7400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8385]
_cell_length_b [3.8385]
_cell_length_c [3.8385]
_cel... |
mp-1206710 | LaO | data_[La4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.1572]
_cell_length_b [5.1572]
_cell_length_c [5.1572]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1272824 | KCoO2 | data_[K2Co2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.2561]
_cell_length_b [6.4927]
_cell_length_c [6.9220]
_cell_an... |
mp-561013 | Ga2PbO4 | data_[Ga8Pb4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.3382]
_cell_length_b [9.5091]
_cell_length_c [8.7201]
_cell_... |
mp-1220750 | Nb10Ge6C | data_[Nb10Ge6C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ge 2.0100 1.2500 0.7700
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [7.7225]
_cell_length_b [7.7225]
_cell_length_c [5.3555]
_ce... |
mp-756429 | Co3OF5 | data_[Co6O2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6925]
_cell_length_b [5.6992]
_cell_length_c [7.8414]
_cell_an... |
mp-1102838 | Eu2ZnGe3 | data_[Eu16Zn8Ge24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.5243]
_cell_length_b [8.8227]
_cell_length_c [14.8105]
... |
mp-556834 | RuCl(OF3)2 | data_[Ru2Cl2O4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.1986]
_cell_length_b [5.8434... |
mp-4472 | BMo2C | data_[B4Mo8C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1154]
_cell_length_b [17.5406]
_cell_length_c [3.0770]
_cell_... |
mp-7275 | BaSi2 | data_[Ba4Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4_332]
_cell_length_a [6.7714]
_cell_length_b [6.7714]
_cell_length_c [6.7714]
_cell_angle_alpha [90.0000]
_cell... |
mp-6739 | Ba2CaOsO6 | data_[Ba8Ca4Os4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4510]
_cell_length_b [8.4... |
mp-1185427 | Lu3Al | data_[Lu3Al1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6625]
_cell_length_b [4.6625]
_cell_length_c [4.6625]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1103987 | Mg2SiO4 | data_[Mg8Si4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.0422]
_cell_length_b [7.0422]
_cell_length_c [6.6314]
_ce... |
mp-30999 | CuCl2 | data_[Cu2Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4986]
_cell_length_b [3.3218]
_cell_length_c [6.9931]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1188225 | SmVO3 | data_[Sm4V4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7467]
_cell_length_b [7.7292]
_cell_length_c [5.4466]
_cell_... |
mp-35795 | BiPbF5 | data_[Bi1Pb1F5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2483]
_cell_length_b [4.3409]
_cell_length_c [7.2551]
_cell_a... |
mp-1188599 | Gd3Sb4Au3 | data_[Gd12Sb16Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [10.0051]
_cell_length_b [10.0051]
_cell_length_c [10.00... |
mp-1095151 | BaCdAsF | data_[Ba2Cd2As2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cd 1.6900 1.5500 1.0900
As 2.1800 1.1500 0.6600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4832]
_cell_length_b [4.4... |
mp-30176 | U2AlCo3 | data_[U4Al2Co6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.1510]
_cell_length_b [5.1510]
_cell_length_c [7.6324]
_... |
mp-561397 | SO3 | data_[S4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4812]
_cell_length_b [4.1794]
_cell_length_c [9.7465]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-6984 | K2SiAs2 | data_[K8Si4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Si 1.9000 1.1000 0.5400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.0741]
_cell_length_b [13.4417]
_cell_length_c [6.4386]
_cel... |
mp-1223689 | K2Cd3SnAs4 | data_[K4Cd6Sn2As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [18.3835]
_cell_length_b [4.4936... |
mp-1219842 | Pr3SiN3O2 | data_[Pr24Si8N24O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Si 1.9000 1.1000 0.5400
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [9.6096]
_cell_length_b [11.1... |
mp-1227816 | Ca3Mg2Ni13 | data_[Ca9Mg6Ni39]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9239]
_cell_length_b [4.9239]
_cell_length_c [35.9215]
_... |
mp-760397 | LiCoCuO4 | data_[Li1Co1Cu1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0025]
_cell_length_b [2.827... |
mp-1209828 | PW3 | data_[P8W24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [9.8835]
_cell_length_b [9.8835]
_cell_length_c [4.8619]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-10572 | NaPN2 | data_[Na4P4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.9948]
_cell_length_b [4.9948]
_cell_length_c [7.0749]
_cell_... |
mp-35539 | Zn2GeSe4 | data_[Zn4Ge2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.7748]
_cell_length_b [5.7748]
_cell_length_c [10.7422]
_... |
mp-545665 | WO3 | data_[W3O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [7.5082]
_cell_length_b [7.5082]
_cell_length_c [3.8626]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-3657 | TiCo2Si | data_[Ti4Co8Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7526]
_cell_length_b [5.7526]
_cell_length_c [5.7526]
_c... |
mp-1223563 | KMg3AlSi3O11F | data_[K1Mg3Al1Si3O11F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_... |
mp-1186351 | NdSmIn2 | data_[Nd4Sm4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8471]
_cell_length_b [7.8471]
_cell_length_c [7.8471]
_c... |
mp-1247082 | Mg2CrIn3S8 | data_[Mg6Cr3In9S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cr 1.6600 1.4000 0.9400
In 1.7800 1.5500 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5979]
_cell_length_b [7.59... |
mp-1176805 | Li8VO6 | data_[Li24V3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.4522]
_cell_length_b [5.4522]
_cell_length_c [15.0641]
_cell... |
mp-1062648 | TbHg2 | data_[Tb2Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6772]
_cell_length_b [4.3530]
_cell_length_c [3.7026]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1078253 | MnB4 | data_[Mn2B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [4.6149]
_cell_length_b [5.3658]
_cell_length_c [2.9482]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-755505 | Li2NbOF5 | data_[Li4Nb2O2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.0409]
_cell_length_b [8.7136]
... |
mp-1177476 | Li3V5O12 | data_[Li3V5O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0386]
_cell_length_b [5.3610]
_cell_length_c [7.4045]
_cell_an... |
mp-1189784 | Ho(BRh)4 | data_[Ho2B8Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [5.3344]
_cell_length_b [5.3344]
_cell_length_c [7.4425]
_... |
mp-755667 | Ba4Bi3O11 | data_[Ba8Bi6O22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.9353]
_cell_length_b [8.7914]
_cell_length_c [8.7924]
_cel... |
mvc-11241 | VS2 | data_[V3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1802]
_cell_length_b [3.1802]
_cell_length_c [22.5600]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-1223126 | La3Si7Ni3 | data_[La6Si14Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2218]
_cell_length_b [4.1428]
_cell_length_c [26.0750]
_... |
mp-1103705 | FeSiNi | data_[Fe4Si4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.2464]
_cell_length_b [3.6716]
_cell_length_c [6.9489]
_ce... |
mp-569657 | Sm(AlZn)2 | data_[Sm2Al4Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1670]
_cell_length_b [4.1670]
_cell_length_c [10.9991]
... |
mp-1112134 | Cs2RbAsBr6 | data_[Cs8Rb4As4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
As 2.1800 1.1500 0.6600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.8963]
_cell_length_b [... |
mp-1178512 | BaSr2I6 | data_[Ba4Sr8I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [24.5751]
_cell_length_b [8.1724]
_cell_length_c [8.1662]
_ce... |
mp-568207 | NdMg2Ni9 | data_[Nd3Mg6Ni27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8841]
_cell_length_b [4.8841]
_cell_length_c [23.5514]
_... |
mp-1219534 | ReBW | data_[Re8B8W8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
B 2.0400 0.8500 0.4100
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [4.7116]
_cell_length_b [7.8282]
_cell_length_c [7.8778]
_cell_a... |
mp-1095302 | BiSe2 | data_[Bi8Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9076]
_cell_length_b [4.2437]
_cell_length_c [12.3347]
_cell_angle_alpha [90.0000]
_cel... |
mp-864908 | MgTiIr2 | data_[Mg4Ti4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2019]
_cell_length_b [6.2019]
_cell_length_c [6.2019]
_c... |
mp-1227436 | Ca2Ga7Au | data_[Ca2Ga7Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.2693]
_cell_length_b [4.2693]
_cell_length_c [11.2902]
_c... |
mp-556123 | Sr2Sc2B4O11 | data_[Sr2Sc2B4O11]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sc 1.3600 1.6000 0.8850
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1290]
_cell_length_b [6.3513]... |
mp-1216491 | V3As2O9 | data_[V6As4O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9012]
_cell_length_b [6.4768]
_cell_length_c [6.5378]
_cell_an... |
mp-29559 | La3Si3Cl2 | data_[La12Si12Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1910]
_cell_length_b [4.2470]
_cell_length_c [10.6760]... |
mp-21855 | VCu3Se4 | data_[V1Cu3Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [5.6505]
_cell_length_b [5.6505]
_cell_length_c [5.6505]
_cel... |
mvc-9086 | PrMgTi2O6 | data_[Pr2Mg2Ti4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.7007]
_cell_length_b [5.... |
mp-1104356 | Na2MnP2O7F3 | data_[Na2Mn1P2O7F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mn 1.5500 1.4000 0.8775
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6... |
mp-1215836 | Yb2AgPd | data_[Yb2Ag1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5648]
_cell_length_b [3.5648]
_cell_length_c [7.1410]
_... |
mp-569265 | Mg3Pt | data_[Mg6Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.6250]
_cell_length_b [4.6250]
_cell_length_c [8.3480]
_cell_angle_alpha [90.0000]
_ce... |
mp-1079158 | TaReSi | data_[Ta3Re3Si3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Re 1.9000 1.3500 0.7125
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.9035]
_cell_length_b [6.9035]
_cell_length_c [3.2816]
_c... |
mp-11418 | TbGa3 | data_[Tb1Ga3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2868]
_cell_length_b [4.2868]
_cell_length_c [4.2868]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1221782 | Mn4VSe5 | data_[Mn12V3Se15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
V 1.6300 1.3500 0.7775
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8199]
_cell_length_b [3.8199]
_cell_length_c [46.8276]
_c... |
mp-1001835 | LiB | data_[Li2B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0130]
_cell_length_b [4.0130]
_cell_length_c [3.1153]
_cell_angle_alpha [90.0000]
_cell... |
mp-22396 | Nb4SiNi | data_[Nb8Si2Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mcc]
_cell_length_a [6.2529]
_cell_length_b [6.2529]
_cell_length_c [4.9694]
_... |
mp-1188929 | Ti(NbS2)3 | data_[Ti2Nb6S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_322]
_cell_length_a [5.8035]
_cell_length_b [5.8035]
_cell_length_c [12.5567]
_... |
mp-645 | TbP | data_[Tb4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6986]
_cell_length_b [5.6986]
_cell_length_c [5.6986]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1079174 | PuPd | data_[Pu4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1293]
_cell_length_b [4.4401]
_cell_length_c [5.8652]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1189650 | ErFe3(BO3)4 | data_[Er3Fe9B12O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [9.6170]
_cell_length_b [9.6170... |
mp-21279 | EuSi | data_[Eu4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5932]
_cell_length_b [11.0978]
_cell_length_c [3.9735]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1104332 | Er3Ga8Au3 | data_[Er6Ga16Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3434]
_cell_length_b [9.6209]
_cell_length_c [12.7207]
_... |
mp-22789 | DyVO3 | data_[Dy4V4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7431]
_cell_length_b [7.6359]
_cell_length_c [5.3342]
_cell_... |
mp-998945 | TiNi | data_[Ti1Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.7358]
_cell_length_b [2.7358]
_cell_length_c [3.5814]
_cell_angle_alpha [90.0000]
_cell... |
mp-1186527 | Pm3Nd | data_[Pm6Nd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.3384]
_cell_length_b [7.3384]
_cell_length_c [6.0202]
_cell_angle_alpha [90.0000]
_ce... |
mp-1216018 | YThC3 | data_[Y8Th8C24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Th 1.3000 1.8000 1.0800
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I2_13]
_cell_length_a [8.4281]
_cell_length_b [8.4281]
_cell_length_c [8.4281]
_cell... |
mp-979967 | Yb2GaHg | data_[Yb8Ga4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ga 1.8100 1.3000 0.7600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3660]
_cell_length_b [7.3660]
_cell_length_c [7.3660]
_c... |
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