Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1106061 | Ca3Pd | data_[Ca12Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6623]
_cell_length_b [9.8133]
_cell_length_c [6.5995]
_cell_angle_alpha [90.0000]
_cell_... |
mp-581678 | LiEu2Si3 | data_[Li4Eu8Si12]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3183]
_cell_length_b [4.4866]
_cell_length_c [7.8300]
_... |
mp-1113729 | Rb2AgMoF6 | data_[Rb8Ag4Mo4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ag 1.9300 1.6000 1.0867
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 [9.0362]
_cell_length_b [9.0... |
mp-1112962 | Cs3YI6 | data_[Cs12Y4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Y 1.2200 1.8000 1.0400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [13.3377]
_cell_length_b [13.3377]
_cell_length_c [13.3377]
_... |
mp-1186622 | PmP3 | data_[Pm2P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9706]
_cell_length_b [3.9706]
_cell_length_c [9.6030]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1215209 | ZrTaB4 | data_[Zr1Ta1B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
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 [3.1403]
_cell_length_b [3.1403]
_cell_length_c [6.8575]
_ce... |
mp-862932 | ThInAg2 | data_[Th4In4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2669]
_cell_length_b [7.2669]
_cell_length_c [7.2669]
_c... |
mp-1218868 | Sr2GdCu2RuO8 | data_[Sr4Gd2Cu4Ru2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Gd 1.2000 1.8000 1.0750
Cu 1.9000 1.3500 0.8200
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length... |
mp-551456 | Ba2CuClO2 | data_[Ba6Cu3Cl3O6]
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
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 [4.3303]
_cell_length_b [4.330... |
mp-999289 | PrTlSe2 | data_[Pr3Tl3Se6]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3563]
_cell_length_b [4.3563]
_cell_length_c [23.2803]
_c... |
mp-998194 | RbInBr3 | data_[Rb2In2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1063]
_cell_length_b [8.1165]
_cell_length_c [5.7337]
_cell... |
mp-1287553 | SrLaCoO4 | data_[Sr4La4Co4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [5.4491]
_cell_length_b [12... |
mp-1095110 | Ba2SmMoO6 | data_[Ba4Sm2Mo2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sm 1.1700 1.8500 1.2290
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.1266]
_cell_length_b [6.12... |
mp-1094635 | Mg2Ga | data_[Mg8Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1837]
_cell_length_b [3.0252]
_cell_length_c [7.6975]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1113275 | Rb2NiAgF6 | data_[Rb8Ni4Ag4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ni 1.9100 1.3500 0.7400
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5720]
_cell_length_b [8.5... |
mp-22423 | BaLa2CoS5 | data_[Ba4La8Co4S20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Co 1.8800 1.3500 0.7683
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.9888]
_cell_length_b [7.... |
mp-1080603 | Fe7Co | data_[Fe14Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [5.7211]
_cell_length_b [5.7211]
_cell_length_c [5.7211]
_cell_angle_alpha [90.0000]
_cell... |
mp-27394 | CsSnCl3 | data_[Cs4Sn4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sn 1.9600 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8480]
_cell_length_b [7.9125]
_cell_length_c [17.1039]... |
mp-1227990 | BaH3IO6 | data_[Ba1H3I1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
H 2.2000 0.2500 0.0000
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0769]
_cell_length_b [5.0867]
_ce... |
mp-865553 | CaEuIn2 | data_[Ca4Eu4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9390]
_cell_length_b [7.9390]
_cell_length_c [7.9390]
_c... |
mp-1222542 | LiIn2CuTe4 | data_[Li2In4Cu2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.3786]
_cell_length_b [6.37... |
mp-1227839 | BaLaFeO4 | data_[Ba2La2Fe2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.0080]
_cell_length_b [4.008... |
mp-1184525 | GdPaRu2 | data_[Gd4Pa4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Pa 1.5000 1.8000 1.0400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8690]
_cell_length_b [6.8690]
_cell_length_c [6.8690]
_c... |
mp-867876 | SmTlAg2 | data_[Sm4Tl4Ag8]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1596]
_cell_length_b [7.1596]
_cell_length_c [7.1596]
_c... |
mp-30787 | MoRh3 | data_[Mo2Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5212]
_cell_length_b [5.5212]
_cell_length_c [4.3865]
_cell_angle_alpha [90.0000]
_ce... |
mp-755301 | Ni6OF11 | data_[Ni6O1F11]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.7352]
_cell_length_b [3.0957]
_cell_length_c [13.9146]
_cell_a... |
mp-27916 | AgBiSe2 | data_[Ag3Bi3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Bi 2.0200 1.6000 1.0350
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2002]
_cell_length_b [4.2002]
_cell_length_c [19.8938]
_c... |
mp-1222967 | LaNi4(BiO4)3 | data_[La1Ni4Bi3O12]
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
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4586]
_cell_length_b [5.7117... |
mp-1218749 | Sr2LiMgSi3 | data_[Sr8Li4Mg4Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6225]
_cell_length_b [... |
mp-605650 | Ba5Ga5Pb | data_[Ba5Ga5Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ga 1.8100 1.3000 0.7600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.1374]
_cell_length_b [6.1374]
_cell_length_c [10.8873]
_... |
mp-1778 | BeO | data_[Be4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [3.8241]
_cell_length_b [3.8241]
_cell_length_c [3.8241]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-864804 | LiTbHg2 | data_[Li4Tb4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tb 1.1000 1.7500 0.9815
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1336]
_cell_length_b [7.1336]
_cell_length_c [7.1336]
_c... |
mp-556422 | NbCl3O | data_[Nb4Cl12O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-42_1m]
_cell_length_a [11.5011]
_cell_length_b [11.5011]
_cell_length_c [4.0011]... |
mp-1102073 | SrCdPt | data_[Sr4Cd4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5958]
_cell_length_b [4.5613]
_cell_length_c [8.7132]
_ce... |
mp-1100783 | Sr2Mg | data_[Sr8Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.8732]
_cell_length_b [8.8732]
_cell_length_c [6.7614]
_cell_angle_alpha [90.0000]
_cell... |
mp-1245 | Sr2N | data_[Sr6N3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8564]
_cell_length_b [3.8564]
_cell_length_c [20.9550]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1215279 | ZrVNi | data_[Zr8V8Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
V 1.6300 1.3500 0.7775
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.3884]
_cell_length_b [5.0789]
_cell_length_c [8.6439]
_cell... |
mp-1224520 | Hf3(Ga2Cu)2 | data_[Hf12Ga16Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.8499]
_cell_length_b [4.1147]
_cell_length_c [14.9120]
_c... |
mp-1276442 | Sr2FeCoO6 | data_[Sr4Fe2Co2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
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 [P4/mmm]
_cell_length_a [5.5393]
_cell_length_b [5.... |
mp-569748 | ThFe2SiC | data_[Th4Fe8Si4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8946]
_cell_length_b [10.69... |
mp-1079576 | Y2InNi2 | data_[Y4In2Ni4]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.4614]
_cell_length_b [7.4614]
_cell_length_c [3.6956]
_ce... |
mp-1104951 | Ca2Ni10H | data_[Ca4Ni20H2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.8709]
_cell_length_b [4.9487]
_cell_length_c [8.5334]
_cel... |
mp-1523148 | Ba2LaSbO6 | data_[Ba8La4Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7355]
_cell_length_b [8.7... |
mp-18798 | Sr2Mn2O5 | data_[Sr4Mn4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.6334]
_cell_length_b [11.0564]
_cell_length_c [3.8497]
_ce... |
mp-600216 | U2Se3 | data_[U8Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.0696]
_cell_length_b [3.9865]
_cell_length_c [10.9947]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1186569 | PmEuHg2 | data_[Pm4Eu4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
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 [7.7785]
_cell_length_b [7.7785]
_cell_length_c [7.7785]
_c... |
mp-861738 | CaMgPb | data_[Ca4Mg4Pb4]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.9681]
_cell_length_b [4.7672]
_cell_length_c [8.9453]
_ce... |
mp-1226559 | Co3Ni | data_[Co3Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.5044]
_cell_length_b [2.5044]
_cell_length_c [8.1192]
_cell_angle_alpha [90.0000]
_cell_... |
mp-13925 | Cs2NaYF6 | data_[Cs8Na4Y4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.2014]
_cell_length_b [9.201... |
mp-7497 | ThSi2 | data_[Th1Si2]
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
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.1247]
_cell_length_b [4.1247]
_cell_length_c [4.1684]
_cell_angle_alpha [90.0000]
_cell... |
mp-23003 | Ce2BiO2 | data_[Ce4Bi2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0332]
_cell_length_b [4.0332]
_cell_length_c [13.0437]
_c... |
mp-989407 | YWN3 | data_[Y2W2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.5949]
_cell_length_b [6.0145]
_cell_length_c [6.1357]
_cell_a... |
mp-983587 | Ac2NiGe | data_[Ac8Ni4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6158]
_cell_length_b [7.6158]
_cell_length_c [7.6158]
_c... |
mp-1210858 | Pr12Ni6Pb | data_[Pr24Ni12Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [10.1782]
_cell_length_b [10.1782]
_cell_length_c [10.1782... |
mp-1215390 | Zr4Br4O | data_[Zr12Br12O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.6126]
_cell_length_b [3.6126]
_cell_length_c [58.8204]
_ce... |
mp-541131 | Ce2Sn5 | data_[Ce8Sn20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.6362]
_cell_length_b [34.7535]
_cell_length_c [4.6644]
_cell_angle_alpha [90.0000]
_cell... |
mp-864857 | NbZnCo2 | data_[Nb4Zn4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Zn 1.6500 1.3500 0.8800
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9360]
_cell_length_b [5.9360]
_cell_length_c [5.9360]
_c... |
mp-756072 | LiCr(CoO3)2 | data_[Li2Cr2Co4O12]
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
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 [12.6907]
_cell_length_b [2.8... |
mp-10993 | ErCuAs2 | data_[Er2Cu2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8855]
_cell_length_b [3.8855]
_cell_length_c [9.8280]
_... |
mp-973906 | LuGe2 | data_[Lu4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0430]
_cell_length_b [15.5043]
_cell_length_c [3.8854]
_cell_angle_alpha [90.0000]
_cell_... |
mp-753691 | Y2Bi2O7 | data_[Y4Bi4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
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 [7.2775]
_cell_length_b [9.6797]
_cell_length_c [5.8812]
_cell_... |
mp-555519 | Li2Cu(WO4)2 | data_[Li2Cu1W2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1174]
_cell_length_b [5.4754]
... |
mp-1209892 | Nd(FeAs3)4 | data_[Nd2Fe8As24]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.3626]
_cell_length_b [8.3626]
_cell_length_c [8.3626]
_c... |
mp-37436 | Li7SbO6 | data_[Li7Sb1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4229]
_cell_length_b [5.4726]
_cell_length_c [5.8968]
_cell_a... |
mp-1225591 | Er2MgS4 | data_[Er8Mg4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7583]
_cell_length_b [12.4616]
_cell_length_c [12.7857]
... |
mp-758518 | V2(OF)3 | data_[V4O6F6]
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]
_cell_length_a [5.4168]
_cell_length_b [5.2829]
_cell_length_c [7.3741]
_cell_angle... |
mp-23212 | CuBr | data_[Cu8Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [6.9316]
_cell_length_b [6.9316]
_cell_length_c [6.9316]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1207202 | La(PPd)2 | data_[La2P4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2181]
_cell_length_b [4.2181]
_cell_length_c [10.0133]
_c... |
mp-1246637 | Y2Zn3N4 | data_[Y8Zn12N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6055]
_cell_length_b [7.1792]
_cell_length_c [6.3457]
_cel... |
mp-18816 | Fe2SiO4 | data_[Fe16Si8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [Fd-3m]
_cell_length_a [8.3339]
_cell_length_b [8.3339]
_cell_length_c [8.3339]
_c... |
mp-11927 | Pr2AlCo2 | data_[Pr4Al2Co4]
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
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0214]
_cell_length_b [5.6302]
_cell_length_c [8.9652]
_ce... |
mp-675930 | In3AsSe3 | data_[In6As2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [4.2463]
_cell_length_b [17.0917]
_cell_length_c [6.1301]
... |
mp-1103519 | KCuO | data_[K8Cu8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [9.3866]
_cell_length_b [9.3866]
_cell_length_c [5.5578]
_cell_... |
mp-1226641 | Co(BRh2)3 | data_[Co4B12Rh24]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.9691]
_cell_length_b [7.5049]
_cell_length_c [4.7523]
_cel... |
mp-11279 | TiBe | data_[Ti1Be1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [2.9307]
_cell_length_b [2.9307]
_cell_length_c [2.9307]
_cell_angle_alpha [90.0000]
_cell_... |
mp-862374 | CdInPd2 | data_[Cd4In4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5813]
_cell_length_b [6.5813]
_cell_length_c [6.5813]
_c... |
mp-865677 | ThSnPd2 | data_[Th4Sn4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0008]
_cell_length_b [7.0008]
_cell_length_c [7.0008]
_c... |
mp-865436 | Gd2IrRh | data_[Gd8Ir4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9106]
_cell_length_b [6.9106]
_cell_length_c [6.9106]
_c... |
mp-2031 | Be2Cu | data_[Be16Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [5.9882]
_cell_length_b [5.9882]
_cell_length_c [5.9882]
_cell_angle_alpha [90.0000]
_cell... |
mp-79 | Zn | data_[Zn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.6267]
_cell_length_b [2.6267]
_cell_length_c [5.2072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
mp-863678 | KZn4(SbO4)3 | data_[K3Zn12Sb9O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
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 [R3]
_cell_length_a [11.0558]
_cell_length_b [11.055... |
mvc-16263 | Zn(BiO2)2 | data_[Zn2Bi4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.4865]
_cell_length_b [6.6972]
_cell_length_c [10.3156]
_cell... |
mp-1176732 | LiCuS | data_[Li16Cu16S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.5488]
_cell_length_b [8.6035]
_cell_length_c [11.0369]
_... |
mp-1216387 | VCu(PS3)2 | data_[V1Cu1P2S6]
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
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.9937]
_cell_length_b [6.0141]
_ce... |
mp-18873 | Rb2NaMnO4 | data_[Rb4Na2Mn2O8]
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
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0712]
_cell_length_b [6.0... |
mp-637030 | Gd2Al6Si4Pt | data_[Gd6Al18Si12Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1615]
_cell_length_b [4... |
mp-1104817 | Rb3Na(WO4)2 | data_[Rb3Na1W2O8]
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
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.3581]
_cell_length_b [6.3581... |
mp-1224053 | In2CuAg(TeSe)2 | data_[In4Cu2Ag2Te4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_... |
mp-1078239 | WBr4 | data_[W4Br16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5897]
_cell_length_b [6.8862]
_cell_length_c [9.1553]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1101795 | NbCoGe | data_[Nb4Co4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.3612]
_cell_length_b [3.7688]
_cell_length_c [7.1737]
_ce... |
mp-1217148 | Ti3VS6 | data_[Ti9V3S18]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.8939]
_cell_length_b [5.8939]
_cell_length_c [17.3373]
_cell_... |
mp-23299 | RbCl | data_[Rb1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9964]
_cell_length_b [3.9964]
_cell_length_c [3.9964]
_cell_angle_alpha [90.0000]
_cell_... |
mp-4208 | Ca2RuO4 | data_[Ca8Ru4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [12.6096]
_cell_length_b [5.3351]
_cell_length_c [5.3384]
_ce... |
mp-1079418 | LiH2N | data_[Li2H4N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-42_1m]
_cell_length_a [3.7507]
_cell_length_b [3.7507]
_cell_length_c [4.1168]
_cel... |
mp-23484 | CsAuCl3 | data_[Cs4Au4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.5999]
_cell_length_b [7.5999]
_cell_length_c [11.3264]... |
mp-636675 | Ga2I3 | data_[Ga8I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7551]
_cell_length_b [8.8143]
_cell_length_c [13.7059]
_cell_angle_alpha [90.0000]
_cell... |
mp-865757 | YbGaRh2 | data_[Yb4Ga4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3193]
_cell_length_b [6.3193]
_cell_length_c [6.3193]
_c... |
mp-1274264 | Li2TiFeO4 | data_[Li8Ti4Fe4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4226]
_cell_length_b [5.9... |
mp-1095619 | SmNi3 | data_[Sm9Ni27]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0117]
_cell_length_b [5.0117]
_cell_length_c [24.5962]
_cell_angle_alpha [90.0000]
_cell... |
mp-9548 | GeAs | data_[Ge12As12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6496]
_cell_length_b [3.8333]
_cell_length_c [9.9023]
_cell_angle_alpha [90.0000]
_cel... |
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