Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1102860 | CaPdPb | data_[Ca4Pd4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3613]
_cell_length_b [4.7923]
_cell_length_c [8.3340]
_ce... |
mp-28945 | Si2NiP3 | data_[Si4Ni2P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.5172]
_cell_length_b [11.1541]
_cell_length_c [5.3275]
_cel... |
mp-3579 | UGeSe | data_[U4Ge4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9593]
_cell_length_b [3.9593]
_cell_length_c [16.5500]
_c... |
mp-1224373 | GeTePt | data_[Ge4Te4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.3501]
_cell_length_b [6.3501]
_cell_length_c [6.3501]
_c... |
mp-1102378 | NdRe2 | data_[Nd4Re8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5276]
_cell_length_b [5.5276]
_cell_length_c [8.9954]
_cell_angle_alpha [90.0000]
_ce... |
mvc-15993 | Ca2Ni3O8 | data_[Ca4Ni6O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
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 [10.9473]
_cell_length_b [5.8250]
_cell_length_c [4.9315]
_ce... |
mp-861866 | KNdGeS4 | data_[K2Nd2Ge2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Nd 1.1400 1.8500 1.2765
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.6696]
_cell_length_b [6.7769]... |
mp-765230 | LiVOF3 | data_[Li2V2O2F6]
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 [P2_1]
_cell_length_a [5.3634]
_cell_length_b [5.2769]
_... |
mp-31502 | ScCd7 | data_[Sc4Cd28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.4483]
_cell_length_b [10.1949]
_cell_length_c [9.4342]
_cell_angle_alpha [90.0000]
_cell... |
mp-1186772 | Ta2CrRe | data_[Ta8Cr4Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3173]
_cell_length_b [6.3173]
_cell_length_c [6.3173]
_c... |
mp-1246929 | Zr4BN3 | data_[Zr4B1N3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
B 2.0400 0.8500 0.4100
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6802]
_cell_length_b [4.6802]
_cell_length_c [4.6802]
_cell_... |
mp-1219917 | PdRhPb4 | data_[Pd2Rh2Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [6.9405]
_cell_length_b [6.9405]
_cell_length_c [5.9380]
_ce... |
mp-1178410 | Cu2NiO4 | data_[Cu8Ni4O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.4669]
_cell_length_b [9.6795]
_cell_length_c [5.3529]
_cel... |
mp-753508 | LiCuS | data_[Li4Cu4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5268]
_cell_length_b [3.9541]
_cell_length_c [6.5862]
_cell... |
mp-1227417 | Ca2MgAg3 | data_[Ca4Mg2Ag6]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.0132]
_cell_length_b [6.0132]
_cell_length_c [9.0632]... |
mp-756605 | NbVO4 | data_[Nb4V4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [4.9602]
_cell_length_b [4.9602]
_cell_length_c [10.3973]
_ce... |
mp-864950 | MnAlIr2 | data_[Mn4Al4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0637]
_cell_length_b [6.0637]
_cell_length_c [6.0637]
_c... |
mp-1183206 | Ag3Pd | data_[Ag6Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.7852]
_cell_length_b [5.7852]
_cell_length_c [4.7613]
_cell_angle_alpha [90.0000]
_ce... |
mvc-5018 | Ca2TaWO6 | data_[Ca4Ta2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ta 1.5000 1.4500 0.8200
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5721]
_cell_length_b [5.75... |
mp-31031 | La4PdO7 | data_[La8Pd2O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3965]
_cell_length_b [4.0929]
_cell_length_c [9.4232]
_ce... |
mp-510577 | LaNiSnH | data_[La4Ni4Sn4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3065]
_cell_length_b [4.454... |
mp-555018 | RbNa2AuO2 | data_[Rb2Na4Au2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [5.6630]
_cell_length_b [10.08... |
mp-690539 | CrNiF6 | data_[Cr3Ni3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.1103]
_cell_length_b [5.1103]
_cell_length_c [13.4907]
_cel... |
mp-764088 | Li6Co2OF11 | data_[Li6Co2O1F11]
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
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1270]
_cell_length_b [5.4524]
... |
mp-1226257 | CrFeTeO6 | data_[Cr2Fe2Te2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.5763]
_cell_length_b [4.... |
mp-1176780 | LiCoS2 | data_[Li2Co2S4]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.6873]
_cell_length_b [3.4075]
_cell_length_c [5.9022]
_cell... |
mp-1222734 | LaU2O6 | data_[La2U4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [Immm]
_cell_length_a [3.8856]
_cell_length_b [5.5301]
_cell_length_c [11.5234]
_cell... |
mp-1079091 | PrCu | data_[Pr4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0965]
_cell_length_b [4.4403]
_cell_length_c [6.1428]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-27716 | KTlO | data_[K4Tl4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1367]
_cell_length_b [3.7056]
_cell_length_c [6.3905]
_cell_... |
mp-972272 | TmAlAu2 | data_[Tm4Al4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7779]
_cell_length_b [6.7779]
_cell_length_c [6.7779]
_c... |
mp-14466 | KLi6IrO6 | data_[K3Li18Ir3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2868]
_cell_length_b [8.286... |
mp-1112099 | K2CeAgCl6 | data_[K8Ce4Ag4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ce 1.1200 1.8500 1.0800
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.9293]
_cell_length_b [10... |
mp-1208600 | SrTl3O5 | data_[Sr4Tl12O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5246]
_cell_length_b [11.5962]
_cell_length_c [14.0579]
_... |
mp-1183037 | ZrZnAu2 | data_[Zr4Zn4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6457]
_cell_length_b [6.6457]
_cell_length_c [6.6457]
_c... |
mp-676749 | Li2UCl6 | data_[Li2U1Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
U 1.3800 1.7500 0.9913
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [6.4574]
_cell_length_b [6.4574]
_cell_length_c [6.0599]
_cel... |
mp-569322 | Te2Ir | data_[Te8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.5875]
_cell_length_b [4.0498]
_cell_length_c [5.4419]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1079267 | LiHg3 | data_[Li2Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.3891]
_cell_length_b [6.3891]
_cell_length_c [5.2511]
_cell_angle_alpha [90.0000]
_ce... |
mp-866824 | Ca2SnS4 | data_[Ca4Sn2S8]
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 [Pbam]
_cell_length_a [7.0850]
_cell_length_b [11.5192]
_cell_length_c [3.9759]
_cel... |
mp-15219 | Rb2VCuS4 | data_[Rb16V8Cu8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
V 1.6300 1.3500 0.7775
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.4524]
_cell_length_b [13.62... |
mp-1239125 | ZrCrCuS4 | data_[Zr2Cr2Cu2S8]
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
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [5.9687]
_cell_length_b [7.0827]... |
mp-1223624 | K3PO3F2 | data_[K24P8O24F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
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 [Fmm2]
_cell_length_a [10.6064]
_cell_length_b [11.1649... |
mp-1027530 | Te2Mo3W(SeS2)2 | data_[Te2Mo3W1Se2S4]
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
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a ... |
mp-9743 | SrAsPd | data_[Sr2As2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.3214]
_cell_length_b [4.3214]
_cell_length_c [9.0208]... |
mp-31770 | Fe3O4 | data_[Fe12O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.9928]
_cell_length_b [6.0848]
_cell_length_c [8.6030]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-997009 | BaAuO2 | data_[Ba4Au4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4530]
_cell_length_b [10.3387]
_cell_length_c [3.9326]
_cel... |
mp-1106307 | CaMn3V4O12 | data_[Ca2Mn6V8O24]
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
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.5337]
_cell_length_b [7.5337... |
mp-1184249 | ErTmHg2 | data_[Er4Tm4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3833]
_cell_length_b [7.3833]
_cell_length_c [7.3833]
_c... |
mp-1225500 | DyHoAl4 | data_[Dy4Ho4Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8550]
_cell_length_b [7.8550]
_cell_length_c [7.8550]
_... |
mp-1290806 | LiTiNiO4 | data_[Li4Ti4Ni4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3075]
_cell_length_b [8.07... |
mp-1183100 | Ac3Cd | data_[Ac6Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.7270]
_cell_length_b [7.7270]
_cell_length_c [6.0193]
_cell_angle_alpha [90.0000]
_ce... |
mp-11040 | EuZnSn | data_[Eu4Zn4Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8193]
_cell_length_b [4.8003]
_cell_length_c [8.1152]
_ce... |
mp-1211261 | La3Cu4(As2O)2 | data_[La6Cu8As8O4]
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
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1262]
_cell_length_b [4.1... |
mp-12890 | HfU3Sb5 | data_[Hf2U6Sb10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
U 1.3800 1.7500 0.9913
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.2298]
_cell_length_b [9.2298]
_cell_length_c [6.1816]
... |
mp-1095240 | Ca3(GeIr)4 | data_[Ca6Ge8Ir8]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [7.6544]
_cell_length_b [7.6544]
_cell_length_c [7.6544]
_c... |
mp-862763 | Pr(Al2Cu)4 | data_[Pr2Al16Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.9112]
_cell_length_b [8.9112]
_cell_length_c [5.2019]
... |
mp-979011 | TmZr | data_[Tm1Zr1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.3854]
_cell_length_b [3.3854]
_cell_length_c [5.3179]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1078775 | Nd(CrB3)2 | data_[Nd2Cr4B12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cr 1.6600 1.4000 0.9400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1062]
_cell_length_b [6.5669]
_cell_length_c [8.3468]
_cel... |
mp-568083 | LaNi2B2C | data_[La2Ni4B4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7784]
_cell_length_b [3.778... |
mp-8689 | V4GeSe8 | data_[V16Ge4Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.2468]
_cell_length_b [10.2468]
_cell_length_c [10.2468]... |
mp-1092248 | TbInPt2 | data_[Tb2In2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5903]
_cell_length_b [4.5903]
_cell_length_c [9.1454]... |
mp-1214889 | Al11Re4 | data_[Al11Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1783]
_cell_length_b [5.1908]
_cell_length_c [9.0030]
_cell_angle_alpha [105.2004]
_cell_... |
mp-1069956 | Ca(SiRh)2 | data_[Ca2Si4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1119]
_cell_length_b [4.1119]
_cell_length_c [10.0319]
... |
mp-1113487 | Rb2FeCuF6 | data_[Rb8Fe4Cu4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4514]
_cell_length_b [8.4... |
mp-12271 | MgSeO3 | data_[Mg4Se4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9899]
_cell_length_b [7.7786]
_cell_length_c [5.0722]
_cel... |
mp-1187522 | YbSmCd2 | data_[Yb4Sm4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Sm 1.1700 1.8500 1.2290
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6088]
_cell_length_b [7.6088]
_cell_length_c [7.6088]
_c... |
mp-1208583 | TaCl3O | data_[Ta4Cl12O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [11.2618]
_cell_length_b [11.2618]
_cell_length_c [3.8542... |
mp-570670 | YOs2 | data_[Y4Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.3346]
_cell_length_b [5.3346]
_cell_length_c [8.8436]
_cell_angle_alpha [90.0000]
_cell... |
mp-636232 | CeInAu2 | data_[Ce4In4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1470]
_cell_length_b [7.1470]
_cell_length_c [7.1470]
_c... |
mp-1220500 | NbAlNi | data_[Nb8Al8Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.9943]
_cell_length_b [5.0265]
_cell_length_c [8.4911]
_ce... |
mp-1079664 | Nd2InNi2 | data_[Nd4In2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.5908]
_cell_length_b [7.5908]
_cell_length_c [3.7881]
_... |
mp-1223672 | K2Ba(BiO3)3 | data_[K2Ba1Bi3O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
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 [P-3m1]
_cell_length_a [6.1044]
_cell_length_b [6.1044... |
mp-21432 | LaPb3 | data_[La1Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9683]
_cell_length_b [4.9683]
_cell_length_c [4.9683]
_cell_angle_alpha [90.0000]
_cell_... |
mp-11475 | TmHg | data_[Tm1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.6823]
_cell_length_b [3.6823]
_cell_length_c [3.6823]
_cell_angle_alpha [90.0000]
_cell_... |
mp-540789 | PbI2 | data_[Pb6I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6542]
_cell_length_b [4.6542]
_cell_length_c [44.8357]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1217263 | TePdSe | data_[Te1Pd1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.9702]
_cell_length_b [3.9702]
_cell_length_c [5.1092]
_ce... |
mp-1246326 | Ti2SeN2 | data_[Ti2Se1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Se 2.5500 1.1500 1.0133
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.4300]
_cell_length_b [3.4300]
_cell_length_c [6.4138]
_cel... |
mp-1187841 | YErCu2 | data_[Y4Er4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9171]
_cell_length_b [6.9171]
_cell_length_c [6.9171]
_cel... |
mp-1104676 | Os(SeBr6)2 | data_[Os2Se4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Os 2.2000 1.3000 0.6730
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4888]
_cell_length_b [11.9493]
_cell_length_c [7.0153]
... |
mp-1208642 | SrBeGe | data_[Sr1Be1Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Be 1.5700 1.0500 0.5900
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.0738]
_cell_length_b [4.0738]
_cell_length_c [4.6411]
_c... |
mp-1223982 | Ho2In3Cu | data_[Ho2In3Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.7216]
_cell_length_b [4.7216]
_cell_length_c [7.4752]
_ce... |
mvc-11949 | CaCr2F10 | data_[Ca2Cr4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.0232]
_cell_length_b [6.5146]
_cell_length_c [7.5823]
_cell_... |
mp-1207930 | U3TiSn5 | data_[U6Ti2Sn10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ti 1.5400 1.4000 0.8517
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.1367]
_cell_length_b [9.1367]
_cell_length_c [6.0592]
... |
mp-20903 | PrIn3 | data_[Pr1In3]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7496]
_cell_length_b [4.7496]
_cell_length_c [4.7496]
_cell_angle_alpha [90.0000]
_cell_... |
mp-11102 | YbInRh | data_[Yb4In4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2255]
_cell_length_b [4.1922]
_cell_length_c [8.5299]
_ce... |
mp-27697 | ThI4 | data_[Th4I16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.4659]
_cell_length_b [8.2136]
_cell_length_c [14.5001]
_cell_angle_alpha [90.0000]
_cell... |
mp-1184701 | Ho5Mg | data_[Ho10Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.5832]
_cell_length_b [3.5464]
_cell_length_c [18.2127]
_cell_angle_alpha [90.0000]
_cell... |
mp-22545 | EuGa3Co2 | data_[Eu4Ga12Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.8744]
_cell_length_b [7.7286]
_cell_length_c [5.2771]
_c... |
mp-570562 | Te3Pt2 | data_[Te12Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0323]
_cell_length_b [4.0577]
_cell_length_c [17.7299]
_cell_angle_alpha [90.0000]
_cell... |
mp-1214797 | Ba2ErReO6 | data_[Ba4Er2Re2O12]
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
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9652]
_cell_length_b [5.... |
mp-639755 | Rb | data_[Rb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.8362]
_cell_length_b [5.8362]
_cell_length_c [5.3021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
mvc-3994 | CaCoO3 | data_[Ca4Co4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.4126]
_cell_length_b [7.4889]
_cell_length_c [5.3005]
_cel... |
mp-1223062 | LaAg5 | data_[La2Ag10]
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 [P-3m1]
_cell_length_a [5.6650]
_cell_length_b [5.6650]
_cell_length_c [9.2842]
_cell_angle_alpha [90.0000]
_cell... |
mp-755075 | CrPO4F | data_[Cr2P2O8F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
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 [P-1]
_cell_length_a [5.1517]
_cell_length_b [5.1643]
_c... |
mp-4152 | Ga2CoS4 | data_[Ga4Co2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.2920]
_cell_length_b [5.2920]
_cell_length_c [10.5137]
_cell... |
mp-434 | SrAu2 | data_[Sr4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.8402]
_cell_length_b [7.6409]
_cell_length_c [8.3195]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1219966 | PrDyC4 | data_[Pr1Dy1C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Dy 1.2200 1.7500 1.1310
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7813]
_cell_length_b [3.7813]
_cell_length_c [6.3794]
_ce... |
mp-571367 | Hf(CoSi)2 | data_[Hf2Co4Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7353]
_cell_length_b [3.7353]
_cell_length_c [9.5914]
_... |
mp-1179854 | PrGa2Co3 | data_[Pr3Ga6Co9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [9.1717]
_cell_length_b [9.1717]
_cell_length_c [3.8249]
_... |
mp-23180 | In5Bi3 | data_[In20Bi12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.4250]
_cell_length_b [8.4250]
_cell_length_c [13.4734]
_cell_angle_alpha [90.0000]
_c... |
mvc-9587 | Ca(BiO2)2 | data_[Ca6Bi12O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.0469]
_cell_length_b [7.0469]
_cell_length_c [17.2922]
_ce... |
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