Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-989533 | NaTl2InF6 | data_[Na4Tl8In4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
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 [8.8337]
_cell_length_b [8.8... |
mp-1303493 | Li3Mn2P2O8F3 | data_[Li6Mn4P4O16F6]
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
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 [Cm]
_cell_length_a [8.... |
mp-22657 | Pu(SiRh)2 | data_[Pu2Si4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
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 [4.0221]
_cell_length_b [4.0221]
_cell_length_c [10.0886]
... |
mp-978093 | Ho2S3 | data_[Ho12S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [6.8708]
_cell_length_b [6.8708]
_cell_length_c [18.4435]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1246349 | MgVCr3S8 | data_[Mg3V3Cr9S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.0992]
_cell_length_b [7.0992]... |
mp-555494 | NaTbMnWO6 | data_[Na2Tb2Mn2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tb 1.1000 1.7500 0.9815
Mn 1.5500 1.4000 0.8775
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a... |
mp-30355 | SrAg | data_[Sr8Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.6171]
_cell_length_b [4.8645]
_cell_length_c [6.4057]
_cell_angle_alpha [90.0000]
_cell_... |
mp-20246 | Mn4Ge6Ir7 | data_[Mn8Ge12Ir14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.0769]
_cell_length_b [8.0769]
_cell_length_c [8.0769]
... |
mp-1173992 | Li5Mn(CoO4)2 | data_[Li10Mn2Co4O16]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1442]
_cell_length_b [5.... |
mp-1223800 | K2NbO3F | data_[K4Nb2O6F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.0139]
_cell_length_b [4.0139]
_... |
mp-1247154 | MgMnN2 | data_[Mg3Mn3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.8775
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.9559]
_cell_length_b [2.9559]
_cell_length_c [14.7589]
_cel... |
mp-558110 | TiS2 | data_[Ti3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4096]
_cell_length_b [3.4096]
_cell_length_c [25.8319]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-14589 | Hf2Si4Ni3 | data_[Hf8Si16Ni12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.1847]
_cell_length_b [13.6723]
_cell_length_c [6.8799]
... |
mp-19853 | TbFeO3 | data_[Tb4Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6656]
_cell_length_b [7.7324]
_cell_length_c [5.3545]
_cel... |
mp-1228988 | AlAg3 | data_[Al15Ag45]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [9.9935]
_cell_length_b [9.9935]
_cell_length_c [12.1602]
_cell_angle_alpha [90.0000]
_cell_... |
mp-9807 | KDy(CO3)2 | data_[K4Dy4C8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Dy 1.2200 1.7500 1.1310
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4970]
_cell_length_b [9.6325]
... |
mp-1078354 | Sr2CrOsO6 | data_[Sr6Cr3Os3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cr 1.6600 1.4000 0.9400
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 [5.6168]
_cell_length_b [5.616... |
mp-1282740 | Ca2CrSbO6 | data_[Ca4Cr2Sb2O12]
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
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4529]
_cell_length_b [7.... |
mp-1183369 | Ba3Sr | data_[Ba6Sr2]
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 [P6_3/mmc]
_cell_length_a [8.8684]
_cell_length_b [8.8684]
_cell_length_c [7.2140]
_cell_angle_alpha [90.0000]
_ce... |
mp-9197 | Li3AsO4 | data_[Li6As2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.3655]
_cell_length_b [5.4699]
_cell_length_c [5.0515]
_ce... |
mp-10055 | Co2B4Mo | data_[Co4B8Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.0282]
_cell_length_b [3.0711]
_cell_length_c [12.4598]
_cel... |
mp-1103836 | NpSeO5 | data_[Np2Se2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.2654]
_cell_length_b [9.4901]
_cell_length_c [5.8766]
_c... |
mp-1176523 | LiVO2 | data_[Li16V16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.4163]
_cell_length_b [8.4163]
_cell_length_c [8.4163]
_ce... |
mp-1227497 | Bi2Pd3PtO8 | data_[Bi2Pd3Pt1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8280]
_cell_length_b [6.1907... |
mp-4989 | CrNiAs | data_[Cr3Ni3As3]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.2194]
_cell_length_b [6.2194]
_cell_length_c [3.6237]
_c... |
mp-982880 | Pm3Y | data_[Pm3Y1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1401]
_cell_length_b [5.1401]
_cell_length_c [5.1401]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1209251 | RbAl(SeO4)2 | data_[Rb1Al1Se2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Al 1.6100 1.2500 0.6750
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P321]
_cell_length_a [5.0935]
_cell_length_b [5.093... |
mp-1221569 | MnZn(GaSe2)4 | data_[Mn2Zn2Ga8Se16]
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
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.9982]
_cell_length_b [11.0... |
mp-756276 | CeHfO4 | data_[Ce4Hf4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Hf 1.3000 1.5500 0.8500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [5.3125]
_cell_length_b [5.3125]
_cell_length_c [10.8697]
_... |
mp-1184172 | ErAg3 | data_[Er2Ag6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.1974]
_cell_length_b [6.1974]
_cell_length_c [4.9699]
_cell_angle_alpha [90.0000]
_ce... |
mp-1184766 | Hg | data_[Hg20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4_132]
_cell_length_a [8.6099]
_cell_length_b [8.6099]
_cell_length_c [8.6099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_ang... |
mp-782663 | Co3OF5 | data_[Co6O2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.6770]
_cell_length_b [3.1272]
_cell_length_c [10.5401]
_cell_a... |
mp-27462 | AlPS4 | data_[Al2P2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P222]
_cell_length_a [5.7123]
_cell_length_b [5.7164]
_cell_length_c [11.4668]
_cell_... |
mp-1216828 | U2CN | data_[U6C3N3]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5107]
_cell_length_b [3.5107]
_cell_length_c [16.6686]
_cell_an... |
mp-7493 | CaSb2 | data_[Ca2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.6865]
_cell_length_b [4.3263]
_cell_length_c [8.9016]
_cell_angle_alpha [90.0000]
_cell... |
mp-1181796 | Co8RuS8 | data_[Co32Ru4S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ru 2.2000 1.3000 0.6610
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.8603]
_cell_length_b [9.8603]
_cell_length_c [9.8603]
_c... |
mp-1187351 | TbHoIr2 | data_[Tb4Ho4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8590]
_cell_length_b [6.8590]
_cell_length_c [6.8590]
_c... |
mp-1183183 | AcY3 | data_[Ac1Y3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.2130]
_cell_length_b [5.2130]
_cell_length_c [5.2130]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-753766 | Ho6ReO12 | data_[Ho18Re3O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.8053]
_cell_length_b [9.8053]
_cell_length_c [9.3461]
_cel... |
mp-676517 | La3U2O10 | data_[La6U4O20]
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 [C2/m]
_cell_length_a [12.1266]
_cell_length_b [5.5563]
_cell_length_c [8.6062]
_cell... |
mp-753455 | BiOF3 | data_[Bi4O4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.1678]
_cell_length_b [14.8289]
_cell_length_c [6.4451]
_ce... |
mp-669509 | Gd2S3 | data_[Gd8S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4311]
_cell_length_b [3.9323]
_cell_length_c [15.2484]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-552191 | Ba2TbBiO6 | data_[Ba4Tb2Bi2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tb 1.1000 1.7500 0.9815
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6680]
_cell_length_b [6.1... |
mp-1209331 | Rb3ErV2O8 | data_[Rb3Er1V2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Er 1.2400 1.7500 1.0300
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0688]
_cell_length_b [6.0688... |
mp-7424 | BPd2 | data_[B2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [4.7723]
_cell_length_b [5.1724]
_cell_length_c [3.1596]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1077978 | Ti3Se4 | data_[Ti6Se8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6272]
_cell_length_b [3.5348]
_cell_length_c [6.5165]
_cell_angle_alpha [90.0000]
_cell_... |
mp-864610 | Nd2MgAl | data_[Nd8Mg4Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5869]
_cell_length_b [7.5869]
_cell_length_c [7.5869]
_c... |
mp-8787 | Ho2NiAs2 | data_[Ho4Ni2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0977]
_cell_length_b [4.0977]
_cell_length_c [14.1182... |
mp-7074 | NaSc(SiO3)2 | data_[Na4Sc4Si8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9986]
_cell_length_b [9.15... |
mp-7825 | K2GeF6 | data_[K2Ge1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ge 2.0100 1.2500 0.7700
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7518]
_cell_length_b [5.7518]
_cell_length_c [4.7778]
_cell_... |
mp-1105277 | AlHSO5 | data_[Al4H4S4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
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 [C2/c]
_cell_length_a [7.1572]
_cell_length_b [7.2549]
... |
mp-1178612 | ZnSiO3 | data_[Zn8Si8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.4777]
_cell_length_b [10.3834]
_cell_length_c [5.5238]
_ce... |
mp-669575 | Hf2InNi2 | data_[Hf8In4Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.1401]
_cell_length_b [7.1401]
_cell_length_c [6.5467]... |
mp-865469 | Ti2MnRu | data_[Ti8Mn4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.8775
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0749]
_cell_length_b [6.0749]
_cell_length_c [6.0749]
_c... |
mp-864984 | MnV3 | data_[Mn4V12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8617]
_cell_length_b [5.8617]
_cell_length_c [5.8617]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1094800 | MgSn | data_[Mg1Sn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.4010]
_cell_length_b [3.4010]
_cell_length_c [4.9034]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1186526 | Pm3Pr | data_[Pm6Pr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1847]
_cell_length_b [5.1847]
_cell_length_c [10.4672]
_cell_angle_alpha [90.0000]
_cel... |
mp-18741 | RbLiCrO4 | data_[Rb2Li2Cr2O8]
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
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P31c]
_cell_length_a [5.4978]
_cell_length_b [5.497... |
mp-1213733 | CrMoO4 | data_[Cr2Mo2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.4756]
_cell_length_b [6.6175]
_cell_length_c [3.1310]
_cell... |
mp-1185025 | LaNdTl2 | data_[La4Nd4Tl8]
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
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9091]
_cell_length_b [7.9091]
_cell_length_c [7.9091]
_c... |
mp-1225428 | Dy2VFeO6 | data_[Dy4V2Fe2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.2509]
_cell_length_b [5.68... |
mp-1077332 | HoCdNi4 | data_[Ho4Cd4Ni16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0153]
_cell_length_b [7.0153]
_cell_length_c [7.0153]
_... |
mp-20294 | CeIn5Rh | data_[Ce1In5Rh1]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7094]
_cell_length_b [4.7094]
_cell_length_c [7.5927]
_... |
mp-1224645 | GdDyAl4 | data_[Gd4Dy4Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8856]
_cell_length_b [7.8856]
_cell_length_c [7.8856]
_... |
mp-1316431 | Li2MnCoO4 | data_[Li4Mn2Co2O8]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.8884]
_cell_length_b [2.9938... |
mp-1080251 | CeSe2 | data_[Ce4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8940]
_cell_length_b [6.8940]
_cell_length_c [6.8940]
_cell_angle_alpha [90.0000]
_cell_... |
mp-9497 | Pr2C(NO)2 | data_[Pr2C1N2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.9629]
_cell_length_b [3.9629]
... |
mp-752595 | Li2Fe3(CoO4)3 | data_[Li2Fe3Co3O12]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8501]
_cell_length_b [5.977... |
mp-5014 | CuAgS | data_[Cu4Ag4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.2905]
_cell_length_b [4.0194]
_cell_length_c [6.6203]
_cell... |
mp-22803 | Cr2CuS4 | data_[Cr16Cu8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [Fd-3m]
_cell_length_a [9.8431]
_cell_length_b [9.8431]
_cell_length_c [9.8431]
_c... |
mp-1210066 | NaLaAgTe4 | data_[Na2La2Ag2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
La 1.1000 1.9500 1.1720
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.3802]
_cell_length_b [4.5... |
mp-1095079 | K3AlF6 | data_[K12Al4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Al 1.6100 1.2500 0.6750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7075]
_cell_length_b [8.7075]
_cell_length_c [8.7075]
_cel... |
mp-558418 | NaCrF6 | data_[Na3Cr3F18]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.3846]
_cell_length_b [5.3846]
_cell_length_c [14.5141]
_cel... |
mp-1769 | SbPd | data_[Sb2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.1438]
_cell_length_b [4.1438]
_cell_length_c [5.6817]
_cell_angle_alpha [90.0000]
_ce... |
mp-24151 | DyH2 | data_[Dy4H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.2012]
_cell_length_b [5.2012]
_cell_length_c [5.2012]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1223367 | La2CoSb4 | data_[La2Co1Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Co 1.8800 1.3500 0.7683
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4449]
_cell_length_b [4.4449]
_cell_length_c [9.8722]
_c... |
mp-1182146 | Ca5Pb3 | data_[Ca10Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.4669]
_cell_length_b [9.4669]
_cell_length_c [6.9195]
_cell_angle_alpha [90.0000]
_c... |
mp-1212210 | K3LiPb4 | data_[K12Li4Pb16]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.3267]
_cell_length_b [16.3533]
_cell_length_c [10.3584]
_... |
mp-1094216 | LaMg | data_[La6Mg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.6884]
_cell_length_b [3.8055]
_cell_length_c [17.0534]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1101759 | LuFe4B | data_[Lu2Fe8B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0012]
_cell_length_b [5.0012]
_cell_length_c [7.0079]
_ce... |
mp-1101754 | Ti4H7 | data_[Ti4H7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [4.4059]
_cell_length_b [4.4059]
_cell_length_c [4.4059]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1181783 | FeF3 | data_[Fe4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1621]
_cell_length_b [5.3013]
_cell_length_c [5.4669]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-754735 | Li2Ni3SbO8 | data_[Li6Ni9Sb3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8937]
_cell_length_b [5.89... |
mp-19900 | La(GeRu)2 | data_[La2Ge4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3296]
_cell_length_b [4.3296]
_cell_length_c [10.1931]
... |
mp-16838 | EuNi5As3 | data_[Eu4Ni20As12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7386]
_cell_length_b [12.2005]
_cell_length_c [11.8501]... |
mp-1517334 | BaPrEuSbO6 | data_[Ba2Pr2Eu2Sb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pr 1.1300 1.8500 1.0600
Eu 1.2000 1.8500 1.1985
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_... |
mp-30865 | TmRh2 | data_[Tm8Rh16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.5146]
_cell_length_b [7.5146]
_cell_length_c [7.5146]
_cell_angle_alpha [90.0000]
_cell... |
mp-23218 | AsI3 | data_[As6I18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.4248]
_cell_length_b [7.4248]
_cell_length_c [22.4074]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1183346 | BaCa3 | data_[Ba2Ca6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [8.0895]
_cell_length_b [8.0895]
_cell_length_c [6.6457]
_cell_angle_alpha [90.0000]
_ce... |
mp-1216437 | V6GeOs | data_[V6Ge1Os1]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pm-3]
_cell_length_a [4.7747]
_cell_length_b [4.7747]
_cell_length_c [4.7747]
_cell... |
mp-10985 | RbCu3S2 | data_[Rb4Cu12S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6532]
_cell_length_b [3.9188]
_cell_length_c [8.5318]
_ce... |
mp-1174139 | Li3MnCoO5 | data_[Li6Mn2Co2O10]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.9057]
_cell_length_b [6.534... |
mp-16526 | AlPt2 | data_[Al4Pt8]
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 [Pnma]
_cell_length_a [5.4709]
_cell_length_b [4.1165]
_cell_length_c [7.9803]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-2881 | Tb(GeRh)2 | data_[Tb2Ge4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1486]
_cell_length_b [4.1486]
_cell_length_c [10.3986]
... |
mp-1205811 | K3IrF6 | data_[K9Ir3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ir 2.2000 1.3500 0.7650
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.5222]
_cell_length_b [10.5222]
_cell_length_c [8.4697]
_cel... |
mp-643790 | CeNiSnH | data_[Ce4Ni4Sn4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
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 [7.2272]
_cell_length_b [4.373... |
mp-1186372 | Pa2BiTe | data_[Pa8Bi4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5344]
_cell_length_b [7.5344]
_cell_length_c [7.5344]
_c... |
mp-505821 | NaV2O5 | data_[Na2V4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.6516]
_cell_length_b [5.1011]
_cell_length_c [11.4672]
_ce... |
mp-2605 | CaO | data_[Ca4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.8393]
_cell_length_b [4.8393]
_cell_length_c [4.8393]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-984703 | CeGe5 | data_[Ce2Ge10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0033]
_cell_length_b [6.1720]
_cell_length_c [9.8613]
_cell_angle_alpha [90.0000]
_cell_... |
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