Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1279310 | Li3(FeO3)2 | data_[Li3Fe2O6]
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 [P1]
_cell_length_a [5.0309]
_cell_length_b [5.0635]
_cell_length_c [5.0710]
_cell_a... |
mp-1217255 | Ti13Sb3 | data_[Ti13Sb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.7483]
_cell_length_b [5.8289]
_cell_length_c [10.1648]
_cell_angle_alpha [90.0000]
_cell... |
mp-570545 | Cs2ZnFe(CN)6 | data_[Cs8Zn4Fe4C24N24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length... |
mp-752492 | Mn4O3F5 | data_[Mn8O6F10]
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 [Imm2]
_cell_length_a [6.2531]
_cell_length_b [7.2294]
_cell_length_c [6.4375]
_cell_... |
mp-676121 | Ag3SI | data_[Ag6S2I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.3197]
_cell_length_b [4.7321]
_cell_length_c [13.2787]
_cell_an... |
mp-1185970 | Mn3Co | data_[Mn6Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.9743]
_cell_length_b [4.9743]
_cell_length_c [3.9533]
_cell_angle_alpha [90.0000]
_ce... |
mp-777295 | TmCrO3 | data_[Tm4Cr4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5662]
_cell_length_b [7.5940]
_cell_length_c [5.2455]
_cel... |
mp-1519036 | Sr2DySbO6 | data_[Sr8Dy4Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Dy 1.2200 1.7500 1.1310
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3927]
_cell_length_b [8.3... |
mp-11504 | MnZn3 | data_[Mn1Zn3]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8253]
_cell_length_b [3.8253]
_cell_length_c [3.8253]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1217742 | Tb3U(CoGe)8 | data_[Tb3U1Co8Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
U 1.3800 1.7500 0.9913
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9934]
_cell_length_b [3.9... |
mp-754700 | Li4V3FeO10 | data_[Li4V3Fe1O10]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [6.6960]
_cell_length_b [6.696... |
mp-1205521 | CaTlBr3 | data_[Ca4Tl4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tl 1.6200 1.9000 1.3325
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3199]
_cell_length_b [14.5127]
_cell_length_c [10.9275]
... |
mp-8697 | ScBO3 | data_[Sc6B6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [4.8013]
_cell_length_b [4.8013]
_cell_length_c [15.4726]
_cell... |
mp-865855 | Ac2SiPd | data_[Ac8Si4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6826]
_cell_length_b [7.6826]
_cell_length_c [7.6826]
_c... |
mp-12453 | HoCuS2 | data_[Ho4Cu4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.3908]
_cell_length_b [3.9450]
_cell_length_c [6.2425]
_cel... |
mp-1105896 | La5Pb3 | data_[La10Pb6]
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 [P6_3/mcm]
_cell_length_a [9.6694]
_cell_length_b [9.6694]
_cell_length_c [7.0045]
_cell_angle_alpha [90.0000]
_c... |
mp-30111 | BaLaI4 | data_[Ba4La4I16]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.5153]
_cell_length_b [15.3039]
_cell_length_c [7.5644]
_c... |
mp-20027 | FeP2 | data_[Fe2P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [4.9614]
_cell_length_b [5.6454]
_cell_length_c [2.7238]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1092293 | Bi2Pt | data_[Bi4Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7102]
_cell_length_b [4.1968]
_cell_length_c [5.9270]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1218335 | SrCaSi4 | data_[Sr1Ca1Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.9352]
_cell_length_b [3.9352]
_cell_length_c [10.1287]
_... |
mp-540872 | AgSbO3 | data_[Ag16Sb16O48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.4237]
_cell_length_b [10.4237]
_cell_length_c [10.4237... |
mp-1187677 | YbCuPd2 | data_[Yb4Cu4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3993]
_cell_length_b [6.3993]
_cell_length_c [6.3993]
_c... |
mp-1212258 | K2CoH2(SO5)2 | data_[K2Co1H2S2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Co 1.8800 1.3500 0.7683
H 2.2000 0.2500 0.0000
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2... |
mp-549333 | NdBi2IO4 | data_[Nd1Bi2I1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Bi 2.0200 1.6000 1.0350
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0130]
_cell_length_b [4.013... |
mp-1209111 | RbSrCl3 | data_[Rb2Sr2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sr 0.9500 2.0000 1.3200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8275]
_cell_length_b [7.8275]
_cell_length_c [5.7591]
_... |
mp-865362 | Zn3Ir | data_[Zn6Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7267]
_cell_length_b [3.7267]
_cell_length_c [8.1562]
_cell_angle_alpha [90.0000]
_cell... |
mp-11151 | NaPrTe2 | data_[Na16Pr16Te32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pr 1.1300 1.8500 1.0600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [13.0007]
_cell_length_b [13.0007]
_cell_length_c [13.00... |
mp-7685 | BaRhO3 | data_[Ba4Rh4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
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 [5.8303]
_cell_length_b [5.8303]
_cell_length_c [9.8115]
... |
mp-1220052 | NiPt | data_[Ni3Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.7176]
_cell_length_b [2.7176]
_cell_length_c [12.6441]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1080029 | Ba2Mn2Se2OF2 | data_[Ba4Mn4Se4O2F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mn 1.5500 1.4000 0.8775
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_... |
mp-22616 | CoSeO3 | data_[Co4Se4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0151]
_cell_length_b [7.6608]
_cell_length_c [5.0918]
_cel... |
mp-20513 | U3MnSb5 | data_[U6Mn2Sb10]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.9725]
_cell_length_b [8.9725]
_cell_length_c [6.1041]
... |
mp-28111 | K3NO3 | data_[K12N4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4cm]
_cell_length_a [7.3223]
_cell_length_b [7.3223]
_cell_length_c [10.5375]
_cell_... |
mp-22137 | DyCoO3 | data_[Dy4Co4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7006]
_cell_length_b [7.3546]
_cell_length_c [5.2340]
_cel... |
mp-1187520 | YbSmAg2 | data_[Yb4Sm4Ag8]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3431]
_cell_length_b [7.3431]
_cell_length_c [7.3431]
_c... |
mp-1104748 | Yb(Ga2Ge)2 | data_[Yb4Ga16Ge8]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4cm]
_cell_length_a [6.1103]
_cell_length_b [6.1103]
_cell_length_c [15.1019]
_... |
mp-1105715 | TiGeS3 | data_[Ti4Ge4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.1111]
_cell_length_b [3.5053]
_cell_length_c [13.4220]
_ce... |
mp-1216506 | V4AgO10 | data_[V8Ag2O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.8208]
_cell_length_b [3.6887]
_cell_length_c [9.1792]
_cell_a... |
mp-569613 | Ba2P7Cl | data_[Ba4P14Cl2]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4216]
_cell_length_b [6.9297]
_cell_length_c [11.8797]
_... |
mp-1216183 | Y3VCo8 | data_[Y9V3Co24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
V 1.6300 1.3500 0.7775
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0493]
_cell_length_b [5.0493]
_cell_length_c [23.6286]
_cell_... |
mp-755769 | ZrO2 | data_[Zr8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3901]
_cell_length_b [4.0430]
_cell_length_c [7.1178]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-5676 | MnSbPt | data_[Mn4Sb4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2327]
_cell_length_b [6.2327]
_cell_length_c [6.2327]
_c... |
mp-1228006 | AlV2 | data_[Al4V8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [3.1627]
_cell_length_b [4.2240]
_cell_length_c [12.6614]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1206106 | Rb3NdF6 | data_[Rb12Nd4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Nd 1.1400 1.8500 1.2765
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.9145]
_cell_length_b [9.9145]
_cell_length_c [9.9145]
_c... |
mp-1220647 | Nb3AlV3Sn | data_[Nb9Al3V9Sn3]
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
V 1.6300 1.3500 0.7775
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2113]
_cell_length_b [7.2113]... |
mp-777900 | Li3FeF6 | data_[Li6Fe2F12]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.1270]
_cell_length_b [5.1270]
_cell_length_c [9.6498]
_ce... |
mp-1216242 | W2N3 | data_[W8N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.0357]
_cell_length_b [8.6728]
_cell_length_c [5.3802]
_cell_angle_alpha [90.0000]
_cell_angle_... |
mp-568100 | ReNCl4 | data_[Re2N2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [8.8020]
_cell_length_b [8.8020]
_cell_length_c [4.1057]
_cell_a... |
mp-1210261 | NaCr2FeO8 | data_[Na2Cr4Fe2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4815]
_cell_length_b [5.49... |
mp-23160 | ThBr4 | data_[Th4Br16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [9.0288]
_cell_length_b [9.0288]
_cell_length_c [8.2553]
_cell_angle_alpha [90.0000]
_c... |
mp-1238878 | Rb(CrS2)2 | data_[Rb2Cr4S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3208]
_cell_length_b [3.4279]
_cell_length_c [5.6192]
_cel... |
mp-1185952 | MgPt5 | data_[Mg1Pt5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [4.8920]
_cell_length_b [4.8920]
_cell_length_c [4.5625]
_cell_angle_alpha [90.0000]
_cell_... |
mp-23675 | H4BrN | data_[H8Br2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [5.8468]
_cell_length_b [5.8468]
_cell_length_c [4.3518]
_cell... |
mp-1224334 | HfNbC2 | data_[Hf3Nb3C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Nb 1.6000 1.4500 0.8200
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2284]
_cell_length_b [3.2284]
_cell_length_c [15.8897]
_cel... |
mp-1104116 | La2H5 | data_[La8H20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.5719]
_cell_length_b [5.5719]
_cell_length_c [11.3411]
_cell_angle_alpha [90.0000]
_ce... |
mp-16342 | HoGe | data_[Ho4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2740]
_cell_length_b [10.6920]
_cell_length_c [3.9456]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1217412 | TbZnAgAs2 | data_[Tb1Zn1Ag1As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2651]
_cell_length_b [4.2... |
mp-6065 | Sr2GaSbO6 | data_[Sr8Ga4Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ga 1.8100 1.3000 0.7600
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9774]
_cell_length_b [7.9... |
mp-1077266 | KLiS | data_[K2Li2S2]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2159]
_cell_length_b [4.2159]
_cell_length_c [9.0686]
_ce... |
mp-1187186 | SrLaHg2 | data_[Sr4La4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9104]
_cell_length_b [7.9104]
_cell_length_c [7.9104]
_c... |
mp-13120 | CeSi3Ru | data_[Ce2Si6Ru2]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.1869]
_cell_length_b [4.1869]
_cell_length_c [9.9955]
_ce... |
mp-558696 | CuTeO3 | data_[Cu4Te4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.2905]
_cell_length_b [9.3562]
_cell_length_c [7.5691]
_c... |
mp-1188119 | PrGaPd2 | data_[Pr4Ga4Pd8]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6327]
_cell_length_b [7.1609]
_cell_length_c [5.8154]
_ce... |
mp-944 | AlB2 | data_[Al1B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [3.0070]
_cell_length_b [3.0070]
_cell_length_c [3.2744]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1227329 | CaCd(CO3)2 | data_[Ca3Cd3C6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.0406]
_cell_length_b [5.0406]... |
mp-672194 | CaIn4Ni | data_[Ca4In16Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5171]
_cell_length_b [16.7654]
_cell_length_c [7.3123]
_... |
mp-1239216 | HfCrCuS4 | data_[Hf2Cr2Cu2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
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 [5.9450]
_cell_length_b [7.0639]... |
mp-1112596 | Cs2NaAsF6 | data_[Cs8Na4As4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
As 2.1800 1.1500 0.6600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.0438]
_cell_length_b [9.0... |
mp-11100 | YbIn5Rh | data_[Yb1In5Rh1]
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 [P4/mmm]
_cell_length_a [4.6871]
_cell_length_b [4.6871]
_cell_length_c [7.5550]
_... |
mvc-3477 | MnZnF4 | data_[Mn8Zn4F16]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [11.5043]
_cell_length_b [5.2885]
_cell_length_c [5.2025]
_cell... |
mp-755475 | Co3OF5 | data_[Co12O4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.4830]
_cell_length_b [6.8125]
_cell_length_c [6.5246]
_cell... |
mp-1226090 | Co5Te6 | data_[Co15Te18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.7485]
_cell_length_b [6.7485]
_cell_length_c [16.0311]
_cell_angle_alpha [90.0000]
_cell... |
mp-3000 | Cr3GaN | data_[Cr3Ga1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ga 1.8100 1.3000 0.7600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8292]
_cell_length_b [3.8292]
_cell_length_c [3.8292]
_cel... |
mp-554601 | RbCuF3 | data_[Rb1Cu1F3]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1412]
_cell_length_b [4.1412]
_cell_length_c [4.1412]
_cel... |
mp-1215817 | Zr2GaCo3 | data_[Zr4Ga2Co6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0921]
_cell_length_b [5.0921]
_cell_length_c [7.7954]... |
mp-1223797 | HoTh | data_[Ho3Th3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5479]
_cell_length_b [3.5479]
_cell_length_c [17.3542]
_cell_angle_alpha [90.0000]
_cell_... |
mp-20286 | Ba2ReNiO6 | data_[Ba8Re4Ni4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Re 1.9000 1.3500 0.7125
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.1559]
_cell_length_b [8.1... |
mp-568662 | BaCl2 | data_[Ba4Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4138]
_cell_length_b [7.4138]
_cell_length_c [7.4138]
_cell_angle_alpha [90.0000]
_cell_... |
mp-555321 | BaNiF4 | data_[Ba4Ni4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2043]
_cell_length_b [14.7731]
_cell_length_c [5.9088]
_... |
mp-1105666 | Rh2Se3 | data_[Rh8Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rh 2.2800 1.3500 0.7450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [9.0285]
_cell_length_b [6.4011]
_cell_length_c [6.5290]
_cell_angle_alpha [90.0000]
_cell_... |
mp-862339 | Sc2GaAg | data_[Sc8Ga4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8181]
_cell_length_b [6.8181]
_cell_length_c [6.8181]
_c... |
mp-755044 | CaTb2O4 | data_[Ca8Tb16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tb 1.1000 1.7500 0.9815
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [9.7242]
_cell_length_b [9.7242]
_cell_length_c [9.7242]
_c... |
mp-1216225 | Y(CuTe)3 | data_[Y6Cu18Te18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.4646]
_cell_length_b [7.4646]
_cell_length_c [20.8972]
_ce... |
mp-1247151 | Mg2Cr3CoS8 | data_[Mg6Cr9Co3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cr 1.6600 1.4000 0.9400
Co 1.8800 1.3500 0.7683
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.1599]
_cell_length_b [7.15... |
mp-21258 | EuIn2Pd | data_[Eu4In8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5775]
_cell_length_b [10.6290]
_cell_length_c [7.9360]
_c... |
mp-758741 | Li(FeP)2 | data_[Li2Fe4P4]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7622]
_cell_length_b [3.7622]
_cell_length_c [9.0453]
_ce... |
mp-1219548 | RbTi3AlO8 | data_[Rb1Ti3Al1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.9842]
_cell_length_b [7.3175]... |
mp-19237 | Sr2MoO4 | data_[Sr4Mo2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0220]
_cell_length_b [4.0220]
_cell_length_c [12.9881]
_c... |
mp-2489 | UC | data_[U4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.9372]
_cell_length_b [4.9372]
_cell_length_c [4.9372]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-1220139 | NdGePt | data_[Nd4Ge4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6393]
_cell_length_b [4.4321]
_cell_length_c [7.3434]
_c... |
mp-36988 | Ca(AlSe2)2 | data_[Ca4Al8Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [6.2663]
_cell_length_b [10.7586]
_cell_length_c [10.7513]
... |
mp-1186318 | NdLu3 | data_[Nd2Lu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.1496]
_cell_length_b [7.1496]
_cell_length_c [5.6328]
_cell_angle_alpha [90.0000]
_ce... |
mp-1185317 | LiBe2Pt | data_[Li4Be8Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Be 1.5700 1.0500 0.5900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.5609]
_cell_length_b [5.5609]
_cell_length_c [5.5609]
_c... |
mp-1236485 | Rb2Li(OsO3)2 | data_[Rb6Li3Os6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.6580]
_cell_length_b [5.658... |
mp-1112671 | Cs2LiSmCl6 | data_[Cs8Li4Sm4Cl24]
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
Sm 1.1700 1.8500 1.2290
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.7240]
_cell_length_b [... |
mp-1222038 | MgCu2(PO4)2 | data_[Mg1Cu2P2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
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 [P1]
_cell_length_a [4.9006]
_cell_length_b [5.3314]
_... |
mp-1183324 | BaSr3 | data_[Ba4Sr12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.6334]
_cell_length_b [9.6334]
_cell_length_c [9.6334]
_cell_angle_alpha [90.0000]
_cell... |
mp-1217961 | TaAu | data_[Ta1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.9280]
_cell_length_b [2.9280]
_cell_length_c [4.1448]
_cell_angle_alpha [90.0000]
_cell... |
mp-33018 | Rb3Sb | data_[Rb12Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.9710]
_cell_length_b [8.9710]
_cell_length_c [8.9710]
_cell_angle_alpha [90.0000]
_cell... |
mp-19790 | Rh(OF3)2 | data_[Rh1O2F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rh 2.2800 1.3500 0.7450
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 [5.2280]
_cell_length_b [5.2682]
_cell_length_c [5.2857]
_cell_an... |
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