Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1020108 | LiCaMgSiN3 | data_[Li4Ca4Mg4Si4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length... |
mp-1314210 | Li(NiO2)2 | data_[Li4Ni8O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.6348]
_cell_length_b [5.6590]
_cell_length_c [8.3891]
_cel... |
mp-1105572 | Ce2Co17 | data_[Ce6Co51]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3598]
_cell_length_b [8.3598]
_cell_length_c [12.1602]
_cell_angle_alpha [90.0000]
_cell... |
mp-2739 | TeO2 | data_[Te4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_32_12]
_cell_length_a [4.9689]
_cell_length_b [4.9689]
_cell_length_c [7.6258]
_cell_angle_alpha [90.0000]
_cell... |
mp-1111695 | K3CrF6 | data_[K12Cr4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.9075]
_cell_length_b [8.9075]
_cell_length_c [8.9075]
_cel... |
mp-1078348 | CeGa3Pd | data_[Ce4Ga12Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.4037]
_cell_length_b [10.3014]
_cell_length_c [5.9158]
_... |
mp-7589 | Mg2NF | data_[Mg8N4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.2202]
_cell_length_b [4.2202]
_cell_length_c [10.1801]
_c... |
mp-1215961 | YFeNi4 | data_[Y1Fe1Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.9492]
_cell_length_b [4.9492]
_cell_length_c [3.9244]
_cel... |
mp-19071 | Co2SiO4 | data_[Co16Si8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.2108]
_cell_length_b [8.2108]
_cell_length_c [8.2108]
_c... |
mp-1189563 | CsCoO2 | data_[Cs8Co8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.1192]
_cell_length_b [12.7307]
_cell_length_c [8.3082]
_ce... |
mp-1077744 | SmCuPb | data_[Sm2Cu2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.6188]
_cell_length_b [4.6188]
_cell_length_c [7.7132]... |
mp-558378 | Pd3S | data_[Pd12S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.4670]
_cell_length_b [5.4259]
_cell_length_c [6.3744]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1189825 | Tb6RhBr10 | data_[Tb6Rh1Br10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Rh 2.2800 1.3500 0.7450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4196]
_cell_length_b [9.2647]
_cell_length_c [9.2947]
_ce... |
mp-1103822 | YbWClO4 | data_[Yb2W2Cl2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
W 2.3600 1.3500 0.7667
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6410]
_cell_length_b [7.0022]
... |
mp-554252 | K2NaCrF6 | data_[K8Na4Cr4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4312]
_cell_length_b [8.431... |
mvc-11612 | Mn2ZnO4 | data_[Mn16Zn8O32]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.5962]
_cell_length_b [8.5962]
_cell_length_c [8.5962]
_c... |
mp-983429 | PmDyRu2 | data_[Pm4Dy4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8954]
_cell_length_b [6.8954]
_cell_length_c [6.8954]
_c... |
mp-1183640 | CdHgPd2 | data_[Cd4Hg4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5972]
_cell_length_b [6.5972]
_cell_length_c [6.5972]
_c... |
mp-754093 | Gd2CdO4 | data_[Gd16Cd8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [9.7425]
_cell_length_b [9.7425]
_cell_length_c [9.7425]
_c... |
mp-27475 | WSCl4 | data_[W2S2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6935]
_cell_length_b [7.9780]
_cell_length_c [8.3760]
_cell_an... |
mp-1216370 | VCuSnS4 | data_[V4Cu4Sn4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.0189]
_cell_length_b [7.3971... |
mp-976277 | Nd(NiBi)2 | data_[Nd2Ni4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ni 1.9100 1.3500 0.7400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.6826]
_cell_length_b [4.6826]
_cell_length_c [10.2073]
... |
mp-1227047 | CaYb3 | data_[Ca2Yb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Yb 1.1000 1.7500 1.0840
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.5134]
_cell_length_b [5.5134]
_cell_length_c [10.6993]
_cell_angle_alpha [90.0000]
_cel... |
mp-13516 | TmAl3(BO3)4 | data_[Tm3Al9B12O36]
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
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [9.3399]
_cell_length_b [9.3399... |
mp-11603 | KNd2CuS4 | data_[K4Nd8Cu4S16]
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
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0732]
_cell_length_b [13.933... |
mp-1216956 | TiFe2Bi2PbO9 | data_[Ti2Fe4Bi4Pb2O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length... |
mp-770192 | Li2CrO3 | data_[Li8Cr4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [Cc]
_cell_length_a [5.1542]
_cell_length_b [8.6247]
_cell_length_c [4.9994]
_cell_... |
mp-1094239 | MgSn2 | data_[Mg4Sn8]
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 [C2/m]
_cell_length_a [11.2951]
_cell_length_b [3.7035]
_cell_length_c [8.0293]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1080127 | YbCdPb | data_[Yb3Cd3Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cd 1.6900 1.5500 1.0900
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8026]
_cell_length_b [7.8026]
_cell_length_c [4.7931]
_c... |
mp-979273 | TePd3 | data_[Te2Pd6]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2189]
_cell_length_b [4.2189]
_cell_length_c [7.7386]
_cell_angle_alpha [90.0000]
_cell... |
mp-867140 | SmZn2Ag | data_[Sm4Zn8Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8002]
_cell_length_b [6.8002]
_cell_length_c [6.8002]
_c... |
mp-23667 | RbP(HO2)2 | data_[Rb8P8H16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [10.9549]
_cell_length_b [11.080... |
mp-1206055 | NdSi2Ag | data_[Nd4Si8Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2360]
_cell_length_b [17.7022]
_cell_length_c [4.2086]
_c... |
mp-1187712 | TmZr3 | data_[Tm2Zr6]
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 [P6_3/mmc]
_cell_length_a [6.6334]
_cell_length_b [6.6334]
_cell_length_c [5.2079]
_cell_angle_alpha [90.0000]
_ce... |
mp-12546 | TiCu3 | data_[Ti2Cu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.3077]
_cell_length_b [5.4270]
_cell_length_c [4.4301]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-866163 | YInRh2 | data_[Y4In4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6727]
_cell_length_b [6.6727]
_cell_length_c [6.6727]
_cel... |
mp-22075 | In7Pt3 | data_[In28Pt12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [9.6030]
_cell_length_b [9.6030]
_cell_length_c [9.6030]
_cell_angle_alpha [90.0000]
_cel... |
mp-1187073 | Sr | data_[Sr9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2461]
_cell_length_b [4.2461]
_cell_length_c [31.3332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-1207868 | UAgF6 | data_[U2Ag2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mcm]
_cell_length_a [5.4078]
_cell_length_b [5.4078]
_cell_length_c [9.2189]
_c... |
mp-972396 | Ti2MnRe | data_[Ti8Mn4Re4]
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
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1216]
_cell_length_b [6.1216]
_cell_length_c [6.1216]
_c... |
mp-1299651 | LiMn3O4 | data_[Li2Mn6O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.2858]
_cell_length_b [8.6517]
_cell_length_c [3.1660]
_cell_a... |
mp-1103814 | K5(CN2)3 | data_[K10C6N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.0787]
_cell_length_b [8.0787]
_cell_length_c [8.0787]
_cell_... |
mp-998418 | MgAgF3 | data_[Mg6Ag6F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [5.6144]
_cell_length_b [5.6144]
_cell_length_c [13.8017]
_ce... |
mp-1019 | YNi2 | data_[Y8Ni16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.1748]
_cell_length_b [7.1748]
_cell_length_c [7.1748]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1212195 | Ho5SbPt2 | data_[Ho20Sb4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.7184]
_cell_length_b [7.7184]
_cell_length_c [13.6940]... |
mvc-13015 | Cu3(SnO3)4 | data_[Cu6Sn8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.6976]
_cell_length_b [7.6976]
_cell_length_c [7.6976]
_cel... |
mp-1206854 | TiMnP | data_[Ti3Mn3P3]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.1992]
_cell_length_b [6.1992]
_cell_length_c [3.3800]
_cel... |
mp-1103171 | UB4Mo | data_[U4B16Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.3372]
_cell_length_b [9.3557]
_cell_length_c [3.6724]
_cell_... |
mp-2874 | In2Si2O7 | data_[In4Si4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7202]
_cell_length_b [8.7558]
_cell_length_c [4.7637]
_cel... |
mp-1112517 | Cs2RbGaCl6 | data_[Cs8Rb4Ga4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
Ga 1.8100 1.3000 0.7600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.0877]
_cell_length_b [... |
mp-29417 | Na3ScBr6 | data_[Na6Sc2Br12]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.4039]
_cell_length_b [7.4039]
_cell_length_c [13.2450]
... |
mp-6114 | La3Ni2B2N3 | data_[La6Ni4B4N6]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7671]
_cell_length_b [3.767... |
mp-10767 | CsK2Yb(PO4)2 | data_[Cs1K2Yb1P2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
Yb 1.1000 1.7500 1.0840
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [... |
mp-10437 | Ba(CuSe)2 | data_[Ba2Cu4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0740]
_cell_length_b [4.0740]
_cell_length_c [13.1919]
... |
mp-1180 | MnPt3 | data_[Mn1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9361]
_cell_length_b [3.9361]
_cell_length_c [3.9361]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1184171 | ErAl3 | data_[Er2Al6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.2181]
_cell_length_b [6.2181]
_cell_length_c [4.6280]
_cell_angle_alpha [90.0000]
_ce... |
mp-979234 | Sm3Y | data_[Sm6Y2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.3452]
_cell_length_b [7.3452]
_cell_length_c [5.8189]
_cell_angle_alpha [90.0000]
_cell... |
mp-978085 | Pr2TlAg | data_[Pr8Tl4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7477]
_cell_length_b [7.7477]
_cell_length_c [7.7477]
_c... |
mp-1184988 | Li2SmAl | data_[Li8Sm4Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sm 1.1700 1.8500 1.2290
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8049]
_cell_length_b [6.8049]
_cell_length_c [6.8049]
_c... |
mp-675778 | NaY2F7 | data_[Na2Y4F14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9073]
_cell_length_b [3.9856]
_cell_length_c [10.9100]
_cell... |
mp-756629 | Li5MnF8 | data_[Li10Mn2F16]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.7158]
_cell_length_b [5.8357]
_cell_length_c [8.8927]
_ce... |
mp-542106 | SbPd2 | data_[Sb8Pd16]
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 [Cmc2_1]
_cell_length_a [3.4635]
_cell_length_b [17.7598]
_cell_length_c [7.0352]
_cell_angle_alpha [90.0000]
_ce... |
mp-1206573 | K3Bi2 | data_[K12Bi8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5220]
_cell_length_b [9.8767]
_cell_length_c [9.5541]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1188728 | CdI2 | data_[Cd18I36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3395]
_cell_length_b [4.3395]
_cell_length_c [132.3817]
_cell_angle_alpha [90.0000]
_cell_... |
mp-753428 | TiVO3 | data_[Ti4V4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1507]
_cell_length_b [5.5521]
_cell_length_c [7.6217]
_cell_an... |
mp-1221898 | Mn2GeRu | data_[Mn8Ge4Ru4]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.9019]
_cell_length_b [5.9019]
_cell_length_c [5.9019]
_c... |
mp-568400 | Sc(AlC)3 | data_[Sc2Al6C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Al 1.6100 1.2500 0.6750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.3643]
_cell_length_b [3.3643]
_cell_length_c [16.7856]
_c... |
mp-569289 | Hg | data_[Hg2]
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 [I4/mmm]
_cell_length_a [4.1394]
_cell_length_b [4.1394]
_cell_length_c [3.6045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
mp-20715 | Pr2InGe2 | data_[Pr4In2Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.6212]
_cell_length_b [7.6212]
_cell_length_c [4.4045]
_... |
mp-1104423 | Ba2YAg5S6 | data_[Ba4Y2Ag10S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0767]
_cell_length_b [4.23... |
mp-619747 | Na3GdBr6 | data_[Na6Gd2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Gd 1.2000 1.8000 1.0750
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3154]
_cell_length_b [7.7636]
_cell_length_c [13.1747]... |
mp-1185447 | LiYbPd2 | data_[Li4Yb4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Yb 1.1000 1.7500 1.0840
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5325]
_cell_length_b [6.5325]
_cell_length_c [6.5325]
_c... |
mp-755745 | LiBi(BO3)2 | data_[Li2Bi2B4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Bi 2.0200 1.6000 1.0350
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.6209]
_cell_length_b [5.98... |
mp-9855 | KHfCuS3 | data_[K4Hf4Cu4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Hf 1.3000 1.5500 0.8500
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7323]
_cell_length_b [14.302... |
mp-1205754 | Na2CeF6 | data_[Na2Ce1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ce 1.1200 1.8500 1.0800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P321]
_cell_length_a [6.0359]
_cell_length_b [6.0359]
_cell_length_c [3.7885]
_cell... |
mp-12515 | LaZnSbO | data_[La2Zn2Sb2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2463]
_cell_length_b [4.2... |
mp-755272 | Li3V5O8 | data_[Li9V15O24]
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 [R-3m]
_cell_length_a [6.0728]
_cell_length_b [6.0728]
_cell_length_c [14.8725]
_cel... |
mp-14437 | RbYO2 | data_[Rb3Y3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Y 1.2200 1.8000 1.0400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5199]
_cell_length_b [3.5199]
_cell_length_c [19.7017]
_cell_... |
mp-975109 | RbNa3 | data_[Rb2Na6]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [8.3362]
_cell_length_b [8.3362]
_cell_length_c [6.5570]
_cell_angle_alpha [90.0000]
_ce... |
mp-1224 | HgO | data_[Hg4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7397]
_cell_length_b [5.7966]
_cell_length_c [3.7389]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1183658 | Cd3Bi | data_[Cd6Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7557]
_cell_length_b [4.7557]
_cell_length_c [9.1311]
_cell_angle_alpha [90.0000]
_cell... |
mp-1217340 | ThUB8 | data_[Th4U4B32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
U 1.3800 1.7500 0.9913
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.9953]
_cell_length_b [10.2264]
_cell_length_c [4.0360]
_cell... |
mp-1105571 | UReC2 | data_[U4Re4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Re 1.9000 1.3500 0.7125
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5978]
_cell_length_b [3.1979]
_cell_length_c [11.0089]
_cell_... |
mp-13819 | KAgF3 | data_[K1Ag1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.3979]
_cell_length_b [4.3979]
_cell_length_c [4.3979]
_cell_... |
mp-1019052 | ReN | data_[Re3N3]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0734]
_cell_length_b [4.0734]
_cell_length_c [4.0734]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1079332 | HfCuSiAs | data_[Hf2Cu2Si2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.6546]
_cell_length_b [3... |
mp-1078313 | Bi2Pt | data_[Bi6Pt3]
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 [P31m]
_cell_length_a [6.6511]
_cell_length_b [6.6511]
_cell_length_c [6.3212]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-567652 | Cs2LiYCl6 | data_[Cs8Li4Y4Cl24]
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
Y 1.2200 1.8000 1.0400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.6277]
_cell_length_b [10... |
mp-1185413 | LiPm2Co | data_[Li4Pm8Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pm 1.1300 1.8500 1.1100
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0353]
_cell_length_b [7.0353]
_cell_length_c [7.0353]
_c... |
mp-988 | Si3N4 | data_[Si6N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [7.6603]
_cell_length_b [7.6603]
_cell_length_c [2.9251]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1217111 | Ti5Al11 | data_[Ti5Al11]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.9205]
_cell_length_b [3.9205]
_cell_length_c [16.4658]
_cell_angle_alpha [90.0000]
_cell... |
mp-1189790 | NdFe4(CuO4)3 | data_[Nd2Fe8Cu6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.4866]
_cell_length_b [7.48... |
mp-864963 | Dy2CuIr | data_[Dy8Cu4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cu 1.9000 1.3500 0.8200
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8719]
_cell_length_b [6.8719]
_cell_length_c [6.8719]
_c... |
mp-1106232 | PrAl | data_[Pr8Al8]
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
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [6.0305]
_cell_length_b [11.8445]
_cell_length_c [5.8163]
_cell_angle_alpha [90.0000]
_cell_... |
mp-753315 | Mg3ZnO4 | data_[Mg6Zn2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.0460]
_cell_length_b [8.5534]
_cell_length_c [3.0281]
_cell... |
mp-1216495 | V5Si6W5 | data_[V10Si12W10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Si 1.9000 1.1000 0.5400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.4151]
_cell_length_b [4.9593]
_cell_length_c [9.4676]
_cell... |
mp-1522393 | BaSrCeHfO6 | data_[Ba4Sr4Ce4Hf4O24]
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
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 [F-43m]
_cell_lengt... |
mp-22713 | Ce2Ni2Sn | data_[Ce4Ni4Sn2]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3592]
_cell_length_b [5.8104]
_cell_length_c [8.1241]
_ce... |
mp-1226008 | CoAsSe | data_[Co2As2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.8341]
_cell_length_b [3.5614]
_cell_length_c [5.7882]
_ce... |
mp-10069 | Ce(P3Ru)4 | data_[Ce2P24Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.0909]
_cell_length_b [8.0909]
_cell_length_c [8.0909]
_cel... |
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