Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1228738 | AsPtS | data_[As4Pt4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.0185]
_cell_length_b [6.0185]
_cell_length_c [6.0185]
_cel... |
mp-1206516 | Lu3InC | data_[Lu3In1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
In 1.7800 1.5500 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7881]
_cell_length_b [4.7881]
_cell_length_c [4.7881]
_cel... |
mp-1217164 | Ti3Co(CuS4)2 | data_[Ti9Co3Cu6S24]
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
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.9656]
_cell_length_b [6.96... |
mp-1076812 | K2Na2Nb(WO4)3 | data_[K2Na2Nb1W3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Nb 1.6000 1.4500 0.8200
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [... |
mp-1215709 | YZrFe4 | data_[Y4Zr4Fe16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zr 1.3300 1.5500 0.8600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2002]
_cell_length_b [7.2002]
_cell_length_c [7.2002]
_ce... |
mp-569385 | DyAl2Ni | data_[Dy4Al8Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0346]
_cell_length_b [10.1209]
_cell_length_c [6.8219]
_c... |
mp-1182642 | CdSnO3 | data_[Cd2Sn2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7865]
_cell_length_b [3.3653]
_cell_length_c [8.4892]
_ce... |
mp-17370 | LaSn2Rh | data_[La8Sn16Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6843]
_cell_length_b [17.3000]
_cell_length_c [9.7722]
_... |
mp-754954 | Ag2Se | data_[Ag8Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.6799]
_cell_length_b [7.3893]
_cell_length_c [7.7972]
_cell_angle_alpha [90.0000]
_... |
mp-1184479 | Gd3In | data_[Gd3In1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8920]
_cell_length_b [4.8920]
_cell_length_c [4.8920]
_cell_angle_alpha [90.0000]
_cell_... |
mvc-7198 | BaYCu2O5 | data_[Ba1Y1Cu2O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8846]
_cell_length_b [3.884... |
mp-753353 | Sr4LiCu(CO5)2 | data_[Sr8Li2Cu2C4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_... |
mp-1205583 | UMn2SiC | data_[U4Mn8Si4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7301]
_cell_length_b [10.6250... |
mp-772267 | Li2AlFeO4 | data_[Li4Al2Fe2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.0383]
_cell_length_b [5.4709]... |
mp-1215513 | Zn2TeSe | data_[Zn6Te3Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2254]
_cell_length_b [4.2254]
_cell_length_c [20.6439]
_ce... |
mp-1103838 | Pd2PbO4 | data_[Pd8Pb4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [5.9474]
_cell_length_b [5.9474]
_cell_length_c [10.2314]
_... |
mp-1029536 | MgZrN2 | data_[Mg4Zr4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.4701]
_cell_length_b [4.5053]
_cell_length_c [7.4588]
_cell... |
mp-756616 | Li3Nb4NiO12 | data_[Li3Nb4Ni1O12]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2616]
_cell_length_b [5.6126... |
mp-754371 | Mn6O7F5 | data_[Mn6O7F5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6972]
_cell_length_b [5.5823]
_cell_length_c [7.7510]
_cell_ang... |
mp-1105987 | TmCrTeO6 | data_[Tm2Cr2Te2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cr 1.6600 1.4000 0.9400
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.1742]
_cell_length_b [5.1... |
mp-28607 | UReB3 | data_[U2Re2B6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Re 1.9000 1.3500 0.7125
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0736]
_cell_length_b [5.0736]
_cell_length_c [5.1226]
_ce... |
mp-1224750 | GdDy | data_[Gd1Dy1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.5806]
_cell_length_b [3.5806]
_cell_length_c [5.7195]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1189728 | La7ZnNi2 | data_[La14Zn2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [12.4018]
_cell_length_b [12.4018]
_cell_length_c [3.8132... |
mp-542458 | Ce2Zn17 | data_[Ce6Zn51]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0489]
_cell_length_b [9.0489]
_cell_length_c [13.2812]
_cell_angle_alpha [90.0000]
_cell... |
mp-1103275 | BaYCuS3 | data_[Ba4Y4Cu4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0375]
_cell_length_b [13.592... |
mp-1095586 | LiGaH4 | data_[Li4Ga4H16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ga 1.8100 1.3000 0.7600
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.4653]
_cell_length_b [6.9971]
_cell_length_c [6.1349]
_cel... |
mp-1078472 | TiCuGeAs | data_[Ti2Cu2Ge2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.6461]
_cell_length_b [3... |
mp-23348 | KFeBr3 | data_[K4Fe4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Fe 1.8300 1.4000 0.8525
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.5261]
_cell_length_b [4.0663]
_cell_length_c [15.0770]
_ce... |
mp-1018683 | DySe2 | data_[Dy2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0706]
_cell_length_b [4.0706]
_cell_length_c [8.3414]
_cell_angle_alpha [90.0000]
_cell... |
mp-1224470 | Hf3TiV8 | data_[Hf9Ti3V24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ti 1.5400 1.4000 0.8517
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.1308]
_cell_length_b [5.1308]
_cell_length_c [25.3101]
_cel... |
mp-4433 | Ce(SiIr)2 | data_[Ce2Si4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1044]
_cell_length_b [4.1044]
_cell_length_c [10.1431]
... |
mp-568991 | Hf2Al4C5 | data_[Hf6Al12C15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3386]
_cell_length_b [3.3386]
_cell_length_c [40.8471]
_c... |
mp-1212234 | Ho6Co2Sn | data_[Ho24Co8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.3419]
_cell_length_b [9.5620]
_cell_length_c [9.8723]
_c... |
mp-1220162 | NdFeSi2Os | data_[Nd2Fe2Si4Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1008]
_cell_length_b [4.... |
mp-1080460 | Mo(BrO)2 | data_[Mo4Br8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [16.0966]
_cell_length_b [3.9928]
_cell_length_c [7.8024]
_cell_... |
mp-973633 | LuSi2Ni | data_[Lu4Si8Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9020]
_cell_length_b [16.5088]
_cell_length_c [3.8923]
_c... |
mp-23642 | VBiPbO5 | data_[V2Bi2Pb2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8313]
_cell_length_b [7.3207]... |
mp-1228450 | Ba4Bi(PbO4)3 | data_[Ba4Bi1Pb3O12]
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
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2239]
_cell_length_b [6.15... |
mp-10754 | Fe(RhS2)2 | data_[Fe8Rh16S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Rh 2.2800 1.3500 0.7450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [9.9136]
_cell_length_b [9.9136]
_cell_length_c [9.9136]
_c... |
mp-454 | NaGa4 | data_[Na2Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2770]
_cell_length_b [4.2770]
_cell_length_c [11.3119]
_cell_angle_alpha [90.0000]
_cel... |
mp-1208986 | Sc2GeB2Ir5 | data_[Sc4Ge2B4Ir10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ge 2.0100 1.2500 0.7700
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.2812]
_cell_length_b [9.... |
mp-29152 | Zr2CoP | data_[Zr4Co2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2725]
_cell_length_b [3.6605]
_cell_length_c [7.4283]
_ce... |
mp-1225946 | Cu2NiSnO4 | data_[Cu2Ni1Sn1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.4215]
_cell_length_b [3.204... |
mp-22612 | FeCu2SnSe4 | data_[Fe2Cu4Sn2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.7679]
_cell_length_b [5.... |
mp-7041 | CaHgO2 | data_[Ca3Hg3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Hg 2.0000 1.5000 1.2450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6410]
_cell_length_b [3.6410]
_cell_length_c [18.8850]
_cel... |
mp-1208842 | SmTeAs | data_[Sm4Te4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6665]
_cell_length_b [4.1191]
_cell_length_c [10.1528]
_c... |
mp-1080085 | PrInCu | data_[Pr3In3Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5435]
_cell_length_b [7.5435]
_cell_length_c [4.2354]
_c... |
mp-21276 | PbS | data_[Pb4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0064]
_cell_length_b [6.0064]
_cell_length_c [6.0064]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-865848 | LuInAg2 | data_[Lu4In4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9326]
_cell_length_b [6.9326]
_cell_length_c [6.9326]
_c... |
mp-11536 | NpRh3 | data_[Np1Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0088]
_cell_length_b [4.0088]
_cell_length_c [4.0088]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1027475 | TeMoWS3 | data_[Te2Mo2W2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2716]
_cell_length_b [3.2716]... |
mp-1029354 | MnZn2N3 | data_[Mn4Zn8N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Zn 1.6500 1.3500 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.5778]
_cell_length_b [5.5464]
_cell_length_c [5.2422]
_c... |
mp-1187979 | Yb5Mg | data_[Yb10Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.9322]
_cell_length_b [3.8347]
_cell_length_c [8.7258]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1227998 | AlSiCN | data_[Al1Si1C1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.1095]
_cell_length_b [3.1095]... |
mp-1216381 | VCu3(TeSe)2 | data_[V2Cu6Te4Se4]
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
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [8.0547]
_cell_length_b [8.267... |
mp-1112623 | Cs2KGaBr6 | data_[Cs8K4Ga4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
Ga 1.8100 1.3000 0.7600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.5169]
_cell_length_b [11... |
mp-1217097 | Ti2NiPd | data_[Ti2Ni1Pd1]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.7743]
_cell_length_b [4.4541]
_cell_length_c [4.7754]
_ce... |
mp-1018770 | Li3PrBi2 | data_[Li3Pr1Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pr 1.1300 1.8500 1.0600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7328]
_cell_length_b [4.7328]
_cell_length_c [7.5050]
_c... |
mp-1222577 | LiAlNi3O5 | data_[Li4Al4Ni12O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0793]
_cell_length_b [14.... |
mp-1216200 | Y(MnAl)6 | data_[Y2Mn12Al12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9427]
_cell_length_b [8.6298]
_cell_length_c [8.7730]
_ce... |
mp-1216017 | YAl7Cu5 | data_[Y2Al14Cu10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.0917]
_cell_length_b [8.7677]
_cell_length_c [8.6661]
_ce... |
mp-865910 | CdAg3 | data_[Cd2Ag6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.9496]
_cell_length_b [5.9496]
_cell_length_c [4.8795]
_cell_angle_alpha [90.0000]
_ce... |
mp-1094415 | Y5Mg | data_[Y10Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.8149]
_cell_length_b [3.5889]
_cell_length_c [8.3582]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1095485 | BaGe(PO4)2 | data_[Ba2Ge2P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ge 2.0100 1.2500 0.7700
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1283]
_cell_length_b [5.1413... |
mp-1246212 | Ca8Fe3N8 | data_[Ca16Fe6N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Fe 1.8300 1.4000 0.8525
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8739]
_cell_length_b [5.0039]
_cell_length_c [7.1237]
_c... |
mp-582357 | Eu(FeSi)2 | data_[Eu2Fe4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0129]
_cell_length_b [4.0129]
_cell_length_c [9.8476]
_... |
mp-976262 | LiMg | data_[Li6Mg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8732]
_cell_length_b [3.3298]
_cell_length_c [7.1899]
_cell_angle_alpha [90.0000]
_cell_... |
mp-8959 | CsK2PdF5 | data_[Cs2K4Pd2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.4949]
_cell_length_b [7.49... |
mp-866289 | Ac2ZnSi | data_[Ac8Zn4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7412]
_cell_length_b [7.7412]
_cell_length_c [7.7412]
_c... |
mp-1114386 | Rb2AlInF6 | data_[Rb8Al4In4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.9917]
_cell_length_b [8.9... |
mp-1069287 | Nd2CdCu2 | data_[Nd4Cd2Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.2732]
_cell_length_b [14.6359]
_cell_length_c [3.7258]
_c... |
mp-8535 | ErSi2Rh3 | data_[Er4Si8Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.1874]
_cell_length_b [9.6165]
_cell_length_c [5.5519]
_c... |
mp-862920 | PmIn3 | data_[Pm1In3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7054]
_cell_length_b [4.7054]
_cell_length_c [4.7054]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1521197 | BaCaGdSbO6 | data_[Ba2Ca2Gd2Sb2O12]
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
Gd 1.2000 1.8000 1.0750
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_... |
mp-1220712 | NaLaS2 | data_[Na1La1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
La 1.1000 1.9500 1.1720
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2020]
_cell_length_b [4.2020]
_cell_length_c [5.6556]
_ce... |
mp-36819 | Sr(CeSe2)2 | data_[Sr4Ce8Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ce 1.1200 1.8500 1.0800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.0710]
_cell_length_b [9.0710]
_cell_length_c [9.0648]
_... |
mp-1221501 | Mo3(SeS)2 | data_[Mo6Se4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.5387]
_cell_length_b [6.6092]
_cell_length_c [6.6098]
_cell_a... |
mp-13427 | Sr3Hg2 | data_[Sr6Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.0720]
_cell_length_b [9.0720]
_cell_length_c [4.5585]
_cell_angle_alpha [90.0000]
_cell... |
mp-19773 | GdGa2 | data_[Gd1Ga2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.2482]
_cell_length_b [4.2482]
_cell_length_c [4.1827]
_cell_angle_alpha [90.0000]
_cell... |
mp-568887 | RbCrCl3 | data_[Rb4Cr4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cr 1.6600 1.4000 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3787]
_cell_length_b [7.1013]
_cell_length_c [6.3126]
_... |
mp-1106164 | Dy6GaCo2 | data_[Dy24Ga4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.2750]
_cell_length_b [9.5443]
_cell_length_c [9.9306]
_c... |
mp-1103762 | Rb3Er(PO4)2 | data_[Rb3Er1P2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Er 1.2400 1.7500 1.0300
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7099]
_cell_length_b [5.7099... |
mp-10312 | HfVGe | data_[Hf4V4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
V 1.6300 1.3500 0.7775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7257]
_cell_length_b [3.7257]
_cell_length_c [14.4303]
_c... |
mp-998196 | RbCuBr3 | data_[Rb1Cu1Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cu 1.9000 1.3500 0.8200
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1866]
_cell_length_b [5.1866]
_cell_length_c [5.1866]
_c... |
mp-1184463 | EuAg2Pb | data_[Eu4Ag8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3313]
_cell_length_b [7.3313]
_cell_length_c [7.3313]
_c... |
mp-1184586 | Hf2CoOs | data_[Hf8Co4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Co 1.8800 1.3500 0.7683
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4532]
_cell_length_b [6.4532]
_cell_length_c [6.4532]
_c... |
mp-1094484 | MgZn5 | data_[Mg2Zn10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5687]
_cell_length_b [2.8882]
_cell_length_c [14.6600]
_cell_angle_alpha [90.0000]
_cell... |
mp-1106304 | TmNiO3 | data_[Tm4Ni4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.1588]
_cell_length_b [5.5310]
_cell_length_c [9.0117]
_c... |
mp-760326 | Li2VOF5 | data_[Li4V2O2F10]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.0971]
_cell_length_b [5.2937]
_c... |
mp-111 | Ne | data_[Ne4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ne 4.79 1.54 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.3038]
_cell_length_b [4.3038]
_cell_length_c [4.3038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gam... |
mp-866826 | CaSnS3 | data_[Ca6Sn6S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.7577]
_cell_length_b [6.7577]
_cell_length_c [18.6528]
_cel... |
mp-571518 | WCl6 | data_[W3Cl18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.6226]
_cell_length_b [6.6226]
_cell_length_c [18.0653]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-867842 | ScInRh2 | data_[Sc4In4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4626]
_cell_length_b [6.4626]
_cell_length_c [6.4626]
_c... |
mp-754322 | Sr2CuO4 | data_[Sr4Cu2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9197]
_cell_length_b [3.9197]
_cell_length_c [12.4200]
_c... |
mp-1184134 | Er2CdOs | data_[Er8Cd4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cd 1.6900 1.5500 1.0900
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0325]
_cell_length_b [7.0325]
_cell_length_c [7.0325]
_c... |
mp-542180 | Th(TeI)2 | data_[Th4Te8I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Te 2.1000 1.4000 1.2933
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8375]
_cell_length_b [14.4752]
_cell_length_c [8.1131]
_cel... |
mp-1178375 | Cu6OF11 | data_[Cu6O1F11]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6663]
_cell_length_b [6.0341]
_cell_length_c [7.1122]
_cell_an... |
mp-1094028 | TiSiAg2O5 | data_[Ti2Si2Ag4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [6.5591]
_cell_length_b [6.... |
mp-1205540 | MgRe(PbO3)2 | data_[Mg4Re4Pb8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Re 1.9000 1.3500 0.7125
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0359]
_cell_length_b [8.0... |
mp-1096840 | Ba | data_[Ba4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.2651]
_cell_length_b [4.9087]
_cell_length_c [7.2781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.