Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1106409 | Tb4ZrAl15 | data_[Tb12Zr3Al45]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Zr 1.3300 1.5500 0.8600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0691]
_cell_length_b [6.0691]
_cell_length_c [36.0416]
... |
mp-1179901 | NaCu3NiSe4 | data_[Na1Cu3Ni1Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [5.8363]
_cell_length_b [5.... |
mp-1211270 | KYbBr3 | data_[K4Yb4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Yb 1.1000 1.7500 1.0840
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0437]
_cell_length_b [11.0901]
_cell_length_c [7.6978]
_ce... |
mp-1211699 | K2RbLuV2O8 | data_[K2Rb1Lu1V2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Lu 1.2700 1.7500 1.0010
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 [... |
mp-1187638 | Tl3In | data_[Tl3In1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9300]
_cell_length_b [4.9300]
_cell_length_c [4.9300]
_cell_angle_alpha [90.0000]
_cell_... |
mp-644762 | Eu(ZnSn)2 | data_[Eu2Zn4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.6367]
_cell_length_b [4.5847]
_cell_length_c [11.3297]
... |
mp-764046 | V3(O2F)2 | data_[V6O8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.7374]
_cell_length_b [4.7153]
_cell_length_c [10.0122]
_cell_... |
mp-998746 | TlGeBr3 | data_[Tl4Ge4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ge 2.0100 1.2500 0.7700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.7667]
_cell_length_b [4.2239]
_cell_length_c [15.6152]
_... |
mp-1286265 | Ba3Cr2O8 | data_[Ba12Cr4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [10.1240]
_cell_length_b [5.8445]
_cell_length_c [7.9630]
_cel... |
mp-1190067 | Er5Pt3 | data_[Er10Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.3478]
_cell_length_b [8.3478]
_cell_length_c [6.1143]
_cell_angle_alpha [90.0000]
_c... |
mp-1079822 | Hf2InPd2 | data_[Hf4In2Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.5279]
_cell_length_b [7.5279]
_cell_length_c [3.4008]
_... |
mp-1018029 | CuPd | data_[Cu1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.0181]
_cell_length_b [3.0181]
_cell_length_c [3.0181]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1187172 | SrHN | data_[Sr4H4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5737]
_cell_length_b [3.9451]
_cell_length_c [5.7230]
_cell_a... |
mp-9897 | Te3As2 | data_[Te9As6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0895]
_cell_length_b [4.0895]
_cell_length_c [30.3062]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1104365 | Y5Ir2 | data_[Y20Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.7794]
_cell_length_b [6.5493]
_cell_length_c [7.2313]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-642737 | Cu2H3ClO3 | data_[Cu12H18Cl6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
H 2.2000 0.2500 0.0000
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.9168]
_cell_length_b [6.91... |
mp-2280 | CuSe2 | data_[Cu4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [6.1588]
_cell_length_b [6.1588]
_cell_length_c [6.1588]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-567998 | ICl | data_[I8Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [12.5242]
_cell_length_b [5.3907]
_cell_length_c [11.6139]
_cell_angle_alpha [90.0000]
_cell... |
mp-1186228 | NbSiRu2 | data_[Nb4Si4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1458]
_cell_length_b [6.1458]
_cell_length_c [6.1458]
_c... |
mp-755547 | LiVF4 | data_[Li4V4F16]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7144]
_cell_length_b [4.0790]
_cell_length_c [6.6461]
_cell... |
mp-1112492 | Cs2TlGaBr6 | data_[Cs8Tl4Ga4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
Ga 1.8100 1.3000 0.7600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.5453]
_cell_length_b [... |
mp-976598 | LiHf2Ir | data_[Li4Hf8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Hf 1.3000 1.5500 0.8500
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5446]
_cell_length_b [6.5446]
_cell_length_c [6.5446]
_c... |
mp-862969 | PmYMg2 | data_[Pm4Y4Mg8]
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
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6648]
_cell_length_b [7.6648]
_cell_length_c [7.6648]
_cel... |
mp-7263 | CaGaN | data_[Ca2Ga2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ga 1.8100 1.3000 0.7600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.5923]
_cell_length_b [3.5923]
_cell_length_c [7.5609]
_ce... |
mp-2014 | DyP | data_[Dy4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6686]
_cell_length_b [5.6686]
_cell_length_c [5.6686]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-11690 | Tc2P3 | data_[Tc8P12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4095]
_cell_length_b [3.1147]
_cell_length_c [9.0449]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1215491 | Zr2Al3Cr | data_[Zr6Al9Cr3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2942]
_cell_length_b [5.2942]
_cell_length_c [12.7741]
_c... |
mp-1217687 | Tb2Al3Fe | data_[Tb6Al9Fe3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5275]
_cell_length_b [5.5275]
_cell_length_c [13.0554]
_c... |
mp-12647 | TbNbO4 | data_[Tb4Nb4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.1928]
_cell_length_b [11.1665]
_cell_length_c [5.1658]
_ce... |
mp-23066 | Pb5(SI3)2 | data_[Pb10S4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0666]
_cell_length_b [4.5171]
_cell_length_c [15.0103]
_ce... |
mp-1079893 | BaTiSe3 | data_[Ba2Ti2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ti 1.5400 1.4000 0.8517
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.1228]
_cell_length_b [7.1228]
_cell_length_c [6.0665]... |
mp-1077503 | TiSi2 | data_[Ti4Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5592]
_cell_length_b [13.4981]
_cell_length_c [3.5718]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1103757 | Cu5Sn2Se7 | data_[Cu10Sn4Se14]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.7566]
_cell_length_b [5.7160]
_cell_length_c [9.0301]
_c... |
mp-570232 | TbCl3 | data_[Tb4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [6.5313]
_cell_length_b [6.5313]
_cell_length_c [11.7348]
_cell_angle_alpha [90.0000]
_... |
mp-1221064 | NaEuTi2O6 | data_[Na2Eu2Ti4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Eu 1.2000 1.8500 1.1985
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.7459]
_cell_length_b [5.... |
mp-1187876 | YRh2Pb | data_[Y4Rh8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7590]
_cell_length_b [6.7590]
_cell_length_c [6.7590]
_cel... |
mp-1120769 | RuPt | data_[Ru1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.7463]
_cell_length_b [2.7463]
_cell_length_c [3.9149]
_cell_angle_alpha [90.0000]
_cell... |
mp-1215923 | YTh | data_[Y1Th1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.5287]
_cell_length_b [3.5287]
_cell_length_c [5.9498]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1211056 | LiMoN2 | data_[Li3Mo3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mo 2.1600 1.4500 0.7750
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.9152]
_cell_length_b [2.9152]
_cell_length_c [15.9740]
_cell... |
mp-1189927 | EuZrS3 | data_[Eu4Zr4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Zr 1.3300 1.5500 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1266]
_cell_length_b [9.7904]
_cell_length_c [6.7383]
_cel... |
mp-978960 | Sm3Tm | data_[Sm6Tm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1106]
_cell_length_b [5.1106]
_cell_length_c [10.1719]
_cell_angle_alpha [90.0000]
_cel... |
mp-972228 | Zr3As2 | data_[Zr12As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.6346]
_cell_length_b [3.7895]
_cell_length_c [10.1848]
_cell_angle_alpha [90.0000]
_cel... |
mp-1226710 | CeY4Zn5 | data_[Ce1Y4Zn5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Y 1.2200 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6035]
_cell_length_b [3.6035]
_cell_length_c [18.0865]
_c... |
mp-1078269 | Sr2UCu2S5 | data_[Sr4U2Cu4S10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
U 1.3800 1.7500 0.9913
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 [13.1559]
_cell_length_b [4.000... |
mp-12668 | Tb2SO2 | data_[Tb2S1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8326]
_cell_length_b [3.8326]
_cell_length_c [6.6459]
_cell_... |
mp-4881 | Er(SiNi)2 | data_[Er2Si4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9526]
_cell_length_b [3.9526]
_cell_length_c [9.5144]
_... |
mp-865487 | VZnRh2 | data_[V4Zn4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Zn 1.6500 1.3500 0.8800
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0586]
_cell_length_b [6.0586]
_cell_length_c [6.0586]
_cel... |
mp-1102776 | Yb2Pt | data_[Yb8Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5680]
_cell_length_b [4.4074]
_cell_length_c [8.9153]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-998235 | CsTlF3 | data_[Cs2Tl2F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.7967]
_cell_length_b [6.7742]
_cell_length_c [6.7922]
_cell... |
mp-547517 | Sr2Cu3(ClO2)2 | data_[Sr4Cu6Cl4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.4902]
_cell_length_b [5.4... |
mp-11512 | LiAl2Ir | data_[Li4Al8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0457]
_cell_length_b [6.0457]
_cell_length_c [6.0457]
_c... |
mp-1105449 | SmTl(PSe3)2 | data_[Sm2Tl2P4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Tl 1.6200 1.9000 1.3325
P 2.1900 1.0000 0.5500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.9120]
_cell_length_b [7.75... |
mp-1113356 | Cs2NdCuBr6 | data_[Cs8Nd4Cu4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Nd 1.1400 1.8500 1.2765
Cu 1.9000 1.3500 0.8200
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2312]
_cell_length_b [... |
mp-1105674 | Mg2BeB2Ir5 | data_[Mg4Be2B4Ir10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Be 1.5700 1.0500 0.5900
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.2869]
_cell_length_b [9.... |
mp-984048 | CeYIn2 | data_[Ce4Y4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6396]
_cell_length_b [7.6396]
_cell_length_c [7.6396]
_cel... |
mp-568809 | Ba5Al5Pb | data_[Ba5Al5Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Al 1.6100 1.2500 0.6750
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.1180]
_cell_length_b [6.1180]
_cell_length_c [11.2235]
_... |
mp-1185349 | LiEu2Hg | data_[Li4Eu8Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Eu 1.2000 1.8500 1.1985
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8423]
_cell_length_b [7.8423]
_cell_length_c [7.8423]
_c... |
mp-626727 | SrH4O3 | data_[Sr2H8O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [3.6947]
_cell_length_b [6.8435]
_cell_length_c [6.2097]
_cell_a... |
mp-1220309 | Nd2Sn4Rh | data_[Nd4Sn8Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5997]
_cell_length_b [4.5976]
_cell_length_c [17.4514]
_c... |
mp-11687 | VTe2 | data_[V6Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8262]
_cell_length_b [3.5756]
_cell_length_c [9.3661]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-553896 | K3MoF6 | data_[K12Mo4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mo 2.1600 1.4500 0.7750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.2017]
_cell_length_b [9.2017]
_cell_length_c [9.2017]
_cel... |
mp-867339 | CsK2Bi | data_[Cs4K8Bi4]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.9189]
_cell_length_b [8.9189]
_cell_length_c [8.9189]
_cel... |
mp-1106002 | PuReB2 | data_[Pu4Re4B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Re 1.9000 1.3500 0.7125
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7874]
_cell_length_b [5.3735]
_cell_length_c [6.4633]
_cell... |
mp-999558 | Mn2SiNi | data_[Mn8Si4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.6619]
_cell_length_b [5.6619]
_cell_length_c [5.6619]
_c... |
mp-27837 | NaHF2 | data_[Na3H3F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
H 2.2000 0.2500 0.0000
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5227]
_cell_length_b [3.5227]
_cell_length_c [13.8641]
_cell_... |
mp-14635 | Rb2VAgSe4 | data_[Rb16V8Ag8Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
V 1.6300 1.3500 0.7775
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.0515]
_cell_length_b [14.... |
mp-1206621 | KYbI3 | data_[K4Yb4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Yb 1.1000 1.7500 1.0840
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5915]
_cell_length_b [15.4257]
_cell_length_c [11.7840]
_cel... |
mp-1188590 | TaReSi | data_[Ta12Re12Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Re 1.9000 1.3500 0.7125
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.0353]
_cell_length_b [11.5729]
_cell_length_c [6.7158]... |
mp-568252 | Rb2Hg2PdCl8 | data_[Rb4Hg4Pd2Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7642]
_cell_length_b [7... |
mp-759738 | LiFeSiO4 | data_[Li4Fe4Si4O16]
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
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.1968]
_cell_length_b [9.6365... |
mp-28480 | Sc2NCl2 | data_[Sc2N1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.3697]
_cell_length_b [3.3697]
_cell_length_c [9.5658]
_cel... |
mp-1539332 | TiZnF6 | data_[Ti3Zn3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Zn 1.6500 1.3500 0.8800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.3395]
_cell_length_b [5.3395]
_cell_length_c [13.6395]
_cel... |
mp-1079250 | SmNiSb2 | data_[Sm2Ni2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3987]
_cell_length_b [4.3987]
_cell_length_c [9.5539]
_... |
mp-1223581 | K8Sb2Te | data_[K16Sb4Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [8.4229]
_cell_length_b [8.4229]
_cell_length_c [16.9445]
_c... |
mp-1024989 | YB2Pd2C | data_[Y2B4Pd4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
B 2.0400 0.8500 0.4100
Pd 2.2000 1.4000 0.8462
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7903]
_cell_length_b [3.7903]... |
mp-754167 | Mn5OF11 | data_[Mn5O1F11]
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 [P1]
_cell_length_a [5.2633]
_cell_length_b [5.7099]
_cell_length_c [9.2345]
_cell_an... |
mp-756124 | TbCrO3 | data_[Tb4Cr4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6069]
_cell_length_b [7.6829]
_cell_length_c [5.3264]
_cel... |
mp-1104815 | LaMg12 | data_[La2Mg24]
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 [I4/mmm]
_cell_length_a [10.3641]
_cell_length_b [10.3641]
_cell_length_c [5.9361]
_cell_angle_alpha [90.0000]
_c... |
mp-1224283 | HfTaB4 | data_[Hf1Ta1B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ta 1.5000 1.4500 0.8200
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [3.1257]
_cell_length_b [3.1257]
_cell_length_c [6.7996]
_ce... |
mp-1077547 | TmNi4Au | data_[Tm4Ni16Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ni 1.9100 1.3500 0.7400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9338]
_cell_length_b [6.9338]
_cell_length_c [6.9338]
_... |
mp-27652 | ThI2 | data_[Th4I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.9698]
_cell_length_b [3.9698]
_cell_length_c [37.9528]
_cell_angle_alpha [90.0000]
_cel... |
mp-23705 | Na3AlH6 | data_[Na6Al2H12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Al 1.6100 1.2500 0.6750
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3458]
_cell_length_b [5.5431]
_cell_length_c [9.3796]
_c... |
mp-1103095 | TbGaCo | data_[Tb4Ga4Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8582]
_cell_length_b [4.2401]
_cell_length_c [7.4043]
_ce... |
mp-558102 | KLiSi2O5 | data_[K2Li2Si4O10]
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
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.0847]
_cell_length_b [4.8745... |
mp-11307 | MgCd | data_[Mg2Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [4.9765]
_cell_length_b [3.2552]
_cell_length_c [5.3456]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-541669 | LiFe2F6 | data_[Li2Fe4F12]
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 [P4_2/mnm]
_cell_length_a [4.7443]
_cell_length_b [4.7443]
_cell_length_c [9.3073]
... |
mp-1106172 | BH5NCl | data_[B4H20N4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [7.0673]
_cell_length_b [6.1422... |
mp-10326 | Zn(ReO4)2 | data_[Zn1Re2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [5.8115]
_cell_length_b [5.8115]
_cell_length_c [6.7235]
_cell_... |
mp-776167 | CeAlO3 | data_[Ce4Al4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.3521]
_cell_length_b [7.6402]
_cell_length_c [5.3539]
_cel... |
mp-1217276 | Th2Si3Os | data_[Th4Si6Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.1029]
_cell_length_b [4.2040]
_cell_length_c [14.4402]
_c... |
mp-1208604 | SrTi4(CuO4)3 | data_[Sr2Ti8Cu6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ti 1.5400 1.4000 0.8517
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 [7.4998]
_cell_length_b [7.49... |
mp-1038814 | MgCd | data_[Mg1Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.5056]
_cell_length_b [3.5056]
_cell_length_c [3.5056]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1095016 | CaMg2 | data_[Ca2Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8911]
_cell_length_b [3.8911]
_cell_length_c [11.2553]
_cell_angle_alpha [90.0000]
_cel... |
mp-1222206 | Mn10(SiGe)3 | data_[Mn10Si3Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.0187]
_cell_length_b [7.0187]
_cell_length_c [4.8850]
_... |
mp-2013 | HoTl3 | data_[Ho1Tl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7715]
_cell_length_b [4.7715]
_cell_length_c [4.7715]
_cell_angle_alpha [90.0000]
_cell_... |
mp-643263 | Na3VH6O7 | data_[Na9V3H18O21]
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
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.5624]
_cell_length_b [8.5624]
_... |
mp-1187219 | Ta3Pt | data_[Ta3Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1286]
_cell_length_b [4.1286]
_cell_length_c [4.1286]
_cell_angle_alpha [90.0000]
_cell_... |
mp-3653 | Mg(SbO3)2 | data_[Mg2Sb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.7289]
_cell_length_b [4.7289]
_cell_length_c [9.3854]
... |
mp-1184365 | EuAu3 | data_[Eu4Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0878]
_cell_length_b [7.0878]
_cell_length_c [7.0878]
_cell_angle_alpha [90.0000]
_cell... |
mp-1112964 | Cs3TbCl6 | data_[Cs12Tb4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tb 1.1000 1.7500 0.9815
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.8841]
_cell_length_b [11.8841]
_cell_length_c [11.884... |
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