Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1104129 | Sn(Mo3Se4)2 | data_[Sn3Mo18Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.6623]
_cell_length_b [9.6623]
_cell_length_c [11.9851]
_... |
mp-769364 | Dy(BiO2)3 | data_[Dy6Bi18O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.1451]
_cell_length_b [10.1451]
_cell_length_c [11.5390]
_... |
mp-1102075 | TbH2ClO2 | data_[Tb2H4Cl2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
H 2.2000 0.2500 0.0000
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1821]
_cell_length_b [3.715... |
mp-12387 | YbAsO4 | data_[Yb4As4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.2218]
_cell_length_b [7.2218]
_cell_length_c [6.4243]
... |
mp-1102691 | LuAlPt | data_[Lu4Al4Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7798]
_cell_length_b [4.3898]
_cell_length_c [7.6875]
_ce... |
mp-1020019 | Li2PNO2 | data_[Li8P4N4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.1559]
_cell_length_b [5.4610]... |
mp-1217721 | Tb3(Al2Fe)2 | data_[Tb6Al8Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4155]
_cell_length_b [5.4211]
_cell_length_c [13.4345]
_ce... |
mp-1190137 | Tb5CuBi3 | data_[Tb10Cu2Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.3404]
_cell_length_b [9.3404]
_cell_length_c [6.4172... |
mp-1112458 | K2AgMoCl6 | data_[K8Ag4Mo4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ag 1.9300 1.6000 1.0867
Mo 2.1600 1.4500 0.7750
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.3422]
_cell_length_b [10... |
mp-634117 | BH3 | data_[B4H12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.3105]
_cell_length_b [6.6194]
_cell_length_c [6.2412]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-22284 | SrInPt | data_[Sr4In4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6615]
_cell_length_b [4.5685]
_cell_length_c [8.6255]
_ce... |
mp-973881 | PmDy3 | data_[Pm2Dy6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0617]
_cell_length_b [5.0617]
_cell_length_c [10.1055]
_cell_angle_alpha [90.0000]
_cel... |
mp-1213968 | CaMgPO4F | data_[Ca4Mg4P4O16F4]
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
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 [C2/c]
_cell_length_a [... |
mp-4405 | Rb3AuO | data_[Rb3Au1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.6175]
_cell_length_b [5.6175]
_cell_length_c [5.6175]
_cel... |
mp-1275750 | Mn4(CuO4)3 | data_[Mn8Cu6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.2677]
_cell_length_b [7.2677]
_cell_length_c [7.2677]
_cel... |
mp-21233 | Ti3InN | data_[Ti3In1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
In 1.7800 1.5500 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2016]
_cell_length_b [4.2016]
_cell_length_c [4.2016]
_cel... |
mp-1208257 | Ti4CrBi2 | data_[Ti16Cr4Bi8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [10.5637]
_cell_length_b [10.5637]
_cell_length_c [5.0849... |
mp-10214 | Y2GeRh3 | data_[Y6Ge3Rh9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6193]
_cell_length_b [5.6193]
_cell_length_c [11.9566]
_cel... |
mp-6956 | La(FeP)2 | data_[La2Fe4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8187]
_cell_length_b [3.8187]
_cell_length_c [10.9216]
_c... |
mp-865041 | HfScRh2 | data_[Hf4Sc4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sc 1.3600 1.6000 0.8850
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5120]
_cell_length_b [6.5120]
_cell_length_c [6.5120]
_c... |
mp-862666 | DyGaRh2 | data_[Dy4Ga4Rh8]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4688]
_cell_length_b [6.4688]
_cell_length_c [6.4688]
_c... |
mp-865164 | HfCdCu2 | data_[Hf4Cd4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3600]
_cell_length_b [6.3600]
_cell_length_c [6.3600]
_c... |
mp-758950 | V4O5F7 | data_[V4O5F7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [P2]
_cell_length_a [5.4168]
_cell_length_b [5.1900]
_cell_length_c [7.4439]
_cell_angle... |
mp-1225396 | ErZnCuP2 | data_[Er1Zn1Cu1P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.9655]
_cell_length_b [3.965... |
mp-20595 | Eu(AlSi)2 | data_[Eu1Al2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2010]
_cell_length_b [4.2010]
_cell_length_c [7.0586]
_c... |
mp-1178547 | AlRhO3 | data_[Al2Rh2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.1514]
_cell_length_b [3.1514]
_cell_length_c [11.8852]
... |
mp-1227294 | BeCo2Si | data_[Be1Co2Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.7149]
_cell_length_b [2.7149]
_cell_length_c [5.2459]
_... |
mp-1205860 | Sr(InAs)2 | data_[Sr2In4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.3242]
_cell_length_b [4.3242]
_cell_length_c [18.2724... |
mp-17193 | Ca3GeO | data_[Ca12Ge4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.7011]
_cell_length_b [9.4800]
_cell_length_c [6.7294]
_cel... |
mp-4194 | Zn(CrS2)2 | data_[Zn8Cr16S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.0433]
_cell_length_b [10.0433]
_cell_length_c [10.0433]... |
mp-1101327 | SrTaNO2 | data_[Sr2Ta2N2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ta 1.5000 1.4500 0.8200
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.0075]
_cell_length_b [5.824... |
mp-1105923 | Ho2Si4Mo3 | data_[Ho4Si8Mo6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Si 1.9000 1.1000 0.5400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8707]
_cell_length_b [6.9322]
_cell_length_c [6.7496]
_... |
mp-23138 | SbPbClO2 | data_[Sb4Pb4Cl4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.6750]
_cell_length_b [12.57... |
mp-30872 | ThSn2 | data_[Th4Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5656]
_cell_length_b [16.8054]
_cell_length_c [4.4655]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1189894 | Y2MnCoO6 | data_[Y4Mn2Co2O12]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3008]
_cell_length_b [5.65... |
mp-1079037 | LaSi2Ni | data_[La4Si8Ni4]
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 [Cmcm]
_cell_length_a [4.2390]
_cell_length_b [16.6148]
_cell_length_c [4.1015]
_c... |
mp-1222876 | LaYTi2O6 | data_[La2Y2Ti4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Y 1.2200 1.8000 1.0400
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [7.8233]
_cell_length_b [5.47... |
mp-1017579 | In2Au3 | data_[In2Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7160]
_cell_length_b [4.7160]
_cell_length_c [5.7594]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1189261 | Cr5B2P | data_[Cr20B8P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
B 2.0400 0.8500 0.4100
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.5473]
_cell_length_b [5.5473]
_cell_length_c [10.3114]
_ce... |
mp-1208232 | ThSiOs2C | data_[Th4Si4Os8C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9951]
_cell_length_b [11.23... |
mp-867141 | ReOs3 | data_[Re2Os6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5371]
_cell_length_b [5.5371]
_cell_length_c [4.3694]
_cell_angle_alpha [90.0000]
_ce... |
mp-1184815 | GdErRh2 | data_[Gd4Er4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Er 1.2400 1.7500 1.0300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8773]
_cell_length_b [6.8773]
_cell_length_c [6.8773]
_c... |
mp-7819 | Pd4S | data_[Pd8S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-42_1c]
_cell_length_a [5.1971]
_cell_length_b [5.1971]
_cell_length_c [5.6662]
_cell_angle_alpha [90.0000]
_cell_... |
mp-510436 | InPd3 | data_[In1Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0872]
_cell_length_b [4.0872]
_cell_length_c [3.9673]
_cell_angle_alpha [90.0000]
_cell... |
mp-1183885 | Eu2CdGe | data_[Eu8Cd4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Cd 1.6900 1.5500 1.0900
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6890]
_cell_length_b [7.6890]
_cell_length_c [7.6890]
_c... |
mp-685055 | CrTe2 | data_[Cr1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8468]
_cell_length_b [3.8468]
_cell_length_c [6.1677]
_cell_angle_alpha [90.0000]
_cell_... |
mp-30908 | Ag3PSe4 | data_[Ag6P2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
P 2.1900 1.0000 0.5500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.2161]
_cell_length_b [7.2607]
_cell_length_c [6.9360]
_ce... |
mp-989646 | LaWN3 | data_[La2W2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8683]
_cell_length_b [3.8880]
_cell_length_c [8.0369]
_cell... |
mp-25386 | Li(FeO2)2 | data_[Li8Fe16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.4503]
_cell_length_b [8.4503]
_cell_length_c [8.4503]
_c... |
mp-1228798 | CsTaTe3 | data_[Cs2Ta2Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ta 1.5000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [8.3198]
_cell_length_b [8.3198]
_cell_length_c [6.4010]
_... |
mp-571096 | FeCl2 | data_[Fe1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.5142]
_cell_length_b [3.5142]
_cell_length_c [6.1811]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1223163 | La4ZnCu(RhO6)2 | data_[La4Zn1Cu1Rh2O12]
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
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_... |
mp-1187672 | Tm3Tl | data_[Tm6Tl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.7929]
_cell_length_b [6.7929]
_cell_length_c [5.5880]
_cell_angle_alpha [90.0000]
_ce... |
mp-1207556 | YbGa2Cu3 | data_[Yb1Ga2Cu3]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.2329]
_cell_length_b [5.2329]
_cell_length_c [4.0376]
_... |
mp-1183462 | CaAu3 | data_[Ca4Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9490]
_cell_length_b [6.9490]
_cell_length_c [6.9490]
_cell_angle_alpha [90.0000]
_cell... |
mp-18914 | K2MoO4 | data_[K8Mo4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5572]
_cell_length_b [6.2299]
_cell_length_c [7.6701]
_cell... |
mp-1213889 | Ce3Cu4(P2O)2 | data_[Ce6Cu8P8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8907]
_cell_length_b [3.890... |
mp-864985 | MnZnIr2 | data_[Mn4Zn4Ir8]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0453]
_cell_length_b [6.0453]
_cell_length_c [6.0453]
_c... |
mp-1185074 | LaNd3 | data_[La1Nd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.2611]
_cell_length_b [5.2611]
_cell_length_c [5.2611]
_cell_angle_alpha [90.0000]
_cell_... |
mp-562779 | ErCoO3 | data_[Er4Co4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.4802]
_cell_length_b [7.3626]
_cell_length_c [5.1250]
_cel... |
mp-4886 | NdCuO2 | data_[Nd3Cu3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7580]
_cell_length_b [3.7580]
_cell_length_c [17.1751]
_cel... |
mp-1206356 | Y2GaCo2 | data_[Y4Ga2Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0530]
_cell_length_b [5.4515]
_cell_length_c [8.3797]
_cell... |
mp-419 | YbB6 | data_[Yb1B6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1284]
_cell_length_b [4.1284]
_cell_length_c [4.1284]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1184502 | In | data_[In9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3329]
_cell_length_b [3.3329]
_cell_length_c [25.4085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-1113413 | CsRb2BiF6 | data_[Cs4Rb8Bi4F24]
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
Bi 2.0200 1.6000 1.0350
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.1616]
_cell_length_b [10... |
mp-19 | Te | data_[Te3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [4.5124]
_cell_length_b [4.5124]
_cell_length_c [5.9599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
mvc-8385 | CaCu3(MoO3)4 | data_[Ca2Cu6Mo8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.6834]
_cell_length_b [7.68... |
mp-3317 | SmRhO3 | data_[Sm4Rh4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.8853]
_cell_length_b [7.7739]
_cell_length_c [5.3554]
_cel... |
mp-21236 | BaPPt | data_[Ba4P4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
P 2.1900 1.0000 0.5500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.6239]
_cell_length_b [6.6239]
_cell_length_c [6.6239]
_cel... |
mp-1183618 | CaGdCd2 | data_[Ca4Gd4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Gd 1.2000 1.8000 1.0750
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6186]
_cell_length_b [7.6186]
_cell_length_c [7.6186]
_c... |
mp-1030352 | 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 [3.2720]
_cell_length_b [3.2720]... |
mp-1219964 | Pr2MgNi9 | data_[Pr6Mg3Ni27]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9925]
_cell_length_b [4.9925]
_cell_length_c [24.1615]
_c... |
mp-997003 | LaAuO2 | data_[La2Au2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.9018]
_cell_length_b [3.9018]
_cell_length_c [12.0525]
... |
mp-1211662 | K3TbF6 | data_[K6Tb2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tb 1.1000 1.7500 0.9815
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4345]
_cell_length_b [6.6478]
_cell_length_c [11.1511]
_ce... |
mp-607111 | AlPt3 | data_[Al4Pt12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [5.5183]
_cell_length_b [5.5183]
_cell_length_c [7.9484]
_cell_angle_alpha [90.0000]
_cel... |
mp-4982 | SmBRh3 | data_[Sm1B1Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2418]
_cell_length_b [4.2418]
_cell_length_c [4.2418]
_cel... |
mp-1104614 | CaFeSeO | data_[Ca4Fe4Se4O4]
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
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0342]
_cell_length_b [3.937... |
mp-1310 | TbRh2 | data_[Tb8Rh16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.5740]
_cell_length_b [7.5740]
_cell_length_c [7.5740]
_cell_angle_alpha [90.0000]
_cell... |
mp-1214712 | Ba2ErCuNi2O7 | data_[Ba2Er1Cu1Ni2O7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_... |
mp-999119 | TbTlS2 | data_[Tb3Tl3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0557]
_cell_length_b [4.0557]
_cell_length_c [22.5987]
_cel... |
mp-1113016 | Cs2LiInF6 | data_[Cs8Li4In4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Li 0.9800 1.4500 0.9000
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 [8.8611]
_cell_length_b [8.8... |
mp-20683 | Cu3Se2 | data_[Cu6Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-42_1m]
_cell_length_a [6.3949]
_cell_length_b [6.3949]
_cell_length_c [4.3493]
_cell_angle_alpha [90.0000]
_cel... |
mp-1102787 | LuCoSi | data_[Lu4Co4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6965]
_cell_length_b [4.1033]
_cell_length_c [6.9586]
_ce... |
mp-1223135 | La3NdCr4O12 | data_[La3Nd1Cr4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nd 1.1400 1.8500 1.2765
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5738]
_cell_length_b [7.8729... |
mp-1223340 | La2CuTe4 | data_[La4Cu2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.5390]
_cell_length_b [8.5526]
_cell_length_c [7.7472]
_ce... |
mp-1078733 | YbAlNi | data_[Yb3Al3Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.7429]
_cell_length_b [6.7429]
_cell_length_c [4.1210]
_c... |
mp-971844 | Tm6GaCo2 | data_[Tm24Ga4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.1980]
_cell_length_b [9.3547]
_cell_length_c [9.7651]
_c... |
mp-1205700 | Ba2LaUO6 | data_[Ba8La4U4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.0265]
_cell_length_b [9.026... |
mp-1187200 | Ta2TcRu | data_[Ta8Tc4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Tc 1.9000 1.3500 0.7417
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3677]
_cell_length_b [6.3677]
_cell_length_c [6.3677]
_c... |
mp-1003322 | CaMnO2 | data_[Ca2Mn2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.2775]
_cell_length_b [4.7213]
_cell_length_c [6.5521]
_cell... |
mp-1103826 | Ta7Fe6 | data_[Ta21Fe18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9387]
_cell_length_b [4.9387]
_cell_length_c [27.0535]
_cell_angle_alpha [90.0000]
_cel... |
mp-1189283 | Rb2Zn3S4 | data_[Rb8Zn12S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.8312]
_cell_length_b [11.2046]
_cell_length_c [13.7229]
_... |
mp-1279364 | MgFeO3 | data_[Mg2Fe2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9929]
_cell_length_b [5.0671]
_cell_length_c [5.4062]
_cell_... |
mp-1025932 | Te2Mo2WS4 | data_[Te2Mo2W1S4]
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 [3.2987]
_cell_length_b [3.2987]... |
mp-1223137 | La3Sm(FeO3)4 | data_[La3Sm1Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5555]
_cell_length_b [7.9137... |
mp-1271562 | Fe | data_[Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [2.7626]
_cell_length_b [2.7626]
_cell_length_c [2.9969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
mp-1216165 | Y10Si6B | data_[Y10Si6B1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Si 1.9000 1.1000 0.5400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [8.5286]
_cell_length_b [8.5286]
_cell_length_c [6.4289]
_cell... |
mp-1113438 | Rb2InAgBr6 | data_[Rb8In4Ag4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.1372]
_cell_length_b [... |
mp-676200 | Eu(ErS2)2 | data_[Eu4Er8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Er 1.2400 1.7500 1.0300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.4214]
_cell_length_b [8.4214]
_cell_length_c [8.3685]
_ce... |
mp-1284814 | Li2MnV3O8 | data_[Li2Mn1V3O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8530]
_cell_length_b [5.8974]
... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.