Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1101781 | BaErCuSe3 | data_[Ba4Er4Cu4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1541]
_cell_length_b [14... |
mp-1112081 | K2TlAgCl6 | data_[K8Tl4Ag4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.6187]
_cell_length_b [10... |
mp-546546 | SiO2 | data_[Si9O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [8.0191]
_cell_length_b [8.0191]
_cell_length_c [7.9170]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-29987 | La3(AlI)2 | data_[La12Al8I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9138]
_cell_length_b [4.3522]
_cell_length_c [12.4780]
_c... |
mp-12793 | NdAl | data_[Nd1Al1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7257]
_cell_length_b [3.7257]
_cell_length_c [3.7257]
_cell_angle_alpha [90.0000]
_cell_... |
mp-31330 | NdInRh | data_[Nd3In3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6353]
_cell_length_b [7.6353]
_cell_length_c [4.0841]
_c... |
mp-30923 | Ga5Rh3 | data_[Ga10Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0302]
_cell_length_b [6.7341]
_cell_length_c [7.9923]
_cell_angle_alpha [100.9368]
_cell_... |
mp-1520324 | BaTbEuBiO6 | data_[Ba2Tb2Eu2Bi2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tb 1.1000 1.7500 0.9815
Eu 1.2000 1.8500 1.1985
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_... |
mp-1080829 | Ti6Ge2B | data_[Ti6Ge2B1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ge 2.0100 1.2500 0.7700
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.8424]
_cell_length_b [6.8424]
_cell_length_c [3.3714]
_cel... |
mp-973508 | KRb3 | data_[K2Rb6]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.8683]
_cell_length_b [6.8683]
_cell_length_c [14.7425]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1516939 | BaNaHfBiO6 | data_[Ba4Na4Hf4Bi4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
Hf 1.3000 1.5500 0.8500
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-1178215 | FeOF | data_[Fe4O4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/m]
_cell_length_a [6.6656]
_cell_length_b [6.6656]
_cell_length_c [3.0666]
_cell... |
mp-2150 | BaTe2 | data_[Ba4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.2369]
_cell_length_b [7.2369]
_cell_length_c [9.1471]
_cell_angle_alpha [90.0000]
_cell... |
mp-12695 | CaMg2Ni9 | data_[Ca3Mg6Ni27]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8521]
_cell_length_b [4.8521]
_cell_length_c [23.5541]
_... |
mp-1215727 | ZnCu4Sn2HgS8 | data_[Zn2Cu8Sn4Hg2S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a... |
mp-1224825 | GaCuTe2 | data_[Ga3Cu3Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3256]
_cell_length_b [4.3256]
_cell_length_c [21.0272]
_ce... |
mp-1184473 | Eu2TlIn | data_[Eu8Tl4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7671]
_cell_length_b [7.7671]
_cell_length_c [7.7671]
_c... |
mp-3076 | LaSnPt | data_[La4Sn4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6272]
_cell_length_b [4.7074]
_cell_length_c [8.1736]
_ce... |
mp-29287 | Cs3CoBr5 | data_[Cs12Co4Br20]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [9.9273]
_cell_length_b [9.9273]
_cell_length_c [15.2955... |
mp-20989 | BaGdFe2O5 | data_[Ba1Gd1Fe2O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Gd 1.2000 1.8000 1.0750
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9956]
_cell_length_b [3.9... |
mp-20072 | LaCuO2 | data_[La3Cu3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8579]
_cell_length_b [3.8579]
_cell_length_c [17.0187]
_cel... |
mp-1223458 | KBaY(BO3)2 | data_[K3Ba3Y3B6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.4... |
mp-755971 | Li2Mn3TeO8 | data_[Li6Mn9Te3O24]
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
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1054]
_cell_length_b [6.10... |
mp-1214901 | Al12Fe7 | data_[Al12Fe7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7949]
_cell_length_b [6.3896]
_cell_length_c [8.7090]
_cell_angle_alpha [87.8236]
_cell_a... |
mvc-13582 | La2MgSnO6 | data_[La6Mg3Sn3O18]
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
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.7536]
_cell_length_b [5.753... |
mp-1207644 | Yb2ReC2 | data_[Yb8Re4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Re 1.9000 1.3500 0.7125
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7151]
_cell_length_b [5.1665]
_cell_length_c [10.0250]
_cel... |
mp-976030 | PrHoMg2 | data_[Pr4Ho4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6878]
_cell_length_b [7.6878]
_cell_length_c [7.6878]
_c... |
mp-1787 | NdMg3 | data_[Nd4Mg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4181]
_cell_length_b [7.4181]
_cell_length_c [7.4181]
_cell_angle_alpha [90.0000]
_cell... |
mp-1095039 | Sr2HfCrO6 | data_[Sr8Hf4Cr4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Hf 1.3000 1.5500 0.8500
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0064]
_cell_length_b [8.0... |
mp-1079894 | LaGe2Rh | data_[La4Ge8Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4166]
_cell_length_b [17.3903]
_cell_length_c [4.3868]
_c... |
mp-865125 | MgGaRh2 | data_[Mg4Ga4Rh8]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1287]
_cell_length_b [6.1287]
_cell_length_c [6.1287]
_c... |
mp-27797 | Li4H4Rh | data_[Li8H8Rh2]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.2922]
_cell_length_b [6.2922]
_cell_length_c [4.0840]
_cell... |
mp-1218262 | SrGaSi | data_[Sr1Ga1Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ga 1.8100 1.3000 0.7600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.2209]
_cell_length_b [4.2209]
_cell_length_c [4.7234]
_c... |
mp-335 | BaGa4 | data_[Ba2Ga8]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6211]
_cell_length_b [4.6211]
_cell_length_c [10.8927]
_cell_angle_alpha [90.0000]
_cel... |
mp-570325 | AuSe | data_[Au8Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5879]
_cell_length_b [3.7925]
_cell_length_c [8.8355]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1184722 | Ho3Th | data_[Ho6Th2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.1204]
_cell_length_b [7.1204]
_cell_length_c [5.7879]
_cell_angle_alpha [90.0000]
_ce... |
mp-1246925 | Y3Mg2TiS8 | data_[Y9Mg6Ti3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8180]
_cell_length_b [7.8180... |
mp-1094666 | Mg3Al | data_[Mg12Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9306]
_cell_length_b [6.9306]
_cell_length_c [6.9306]
_cell_angle_alpha [90.0000]
_cell... |
mp-1225233 | EuZnSn | data_[Eu4Zn4Sn4]
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 [C2/m]
_cell_length_a [11.2361]
_cell_length_b [4.8123]
_cell_length_c [7.6879]
_c... |
mp-7951 | ThSe2 | data_[Th4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6377]
_cell_length_b [4.4523]
_cell_length_c [9.1192]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1076070 | LaCuO3 | data_[La1Cu1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8717]
_cell_length_b [3.8717]
_cell_length_c [3.8717]
_cel... |
mp-1184743 | GdHo3 | data_[Gd2Ho6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0084]
_cell_length_b [5.0084]
_cell_length_c [10.1545]
_cell_angle_alpha [90.0000]
_cel... |
mp-20665 | CeInCu | data_[Ce3In3Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.3668]
_cell_length_b [7.3668]
_cell_length_c [4.2949]
_c... |
mp-1219740 | PrUN2 | data_[Pr3U3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
U 1.3800 1.7500 0.9913
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5345]
_cell_length_b [3.5345]
_cell_length_c [17.5122]
_cell_... |
mp-1080702 | Ba(CuSb)2 | data_[Ba2Cu4Sb4]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.6830]
_cell_length_b [4.6830]
_cell_length_c [10.8540]
... |
mp-975590 | Kr | data_[Kr9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Kr 3.0000 2.02 0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5205]
_cell_length_b [4.5205]
_cell_length_c [33.3080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_g... |
mp-20510 | Yb(FeGe)2 | data_[Yb2Fe4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8913]
_cell_length_b [3.8913]
_cell_length_c [10.7067]
... |
mp-1246871 | DyMgMnS4 | data_[Dy4Mg4Mn4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.8775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.5774]
_cell_length_b [7.74... |
mp-1219594 | RbTl(FeSe)8 | data_[Rb2Tl2Fe16Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
Fe 1.8300 1.4000 0.8525
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.1299]
_cell_length_b [... |
mp-754242 | LiFe2(PO4)2 | data_[Li2Fe4P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.2635]
_cell_length_b [5.5031... |
mp-11661 | Zr3N4 | data_[Zr12N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [6.8115]
_cell_length_b [6.8115]
_cell_length_c [6.8115]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1215266 | ZrTi2Ni9 | data_[Zr3Ti6Ni27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.1890]
_cell_length_b [5.1890]
_cell_length_c [18.9348]
_c... |
mp-505577 | Dy3Ge5 | data_[Dy24Ge40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [5.7779]
_cell_length_b [17.4018]
_cell_length_c [13.7697]
_cell_angle_alpha [90.0000]
_ce... |
mp-1224389 | Ge3PbSe4 | data_[Ge3Pb1Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.5955]
_cell_length_b [3.9962]
_cell_length_c [11.4821]
_cel... |
mp-1079097 | ErMgAg | data_[Er3Mg3Ag3]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5379]
_cell_length_b [7.5379]
_cell_length_c [4.2829]
_c... |
mp-1106302 | Th(BIr)4 | data_[Th2B8Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [7.7614]
_cell_length_b [7.7614]
_cell_length_c [3.9659]
_ce... |
mp-13339 | EuCuTeF | data_[Eu2Cu2Te2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2238]
_cell_length_b [4.2... |
mp-1187531 | TiZn3 | data_[Ti2Zn6]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.6378]
_cell_length_b [5.6378]
_cell_length_c [4.3509]
_cell_angle_alpha [90.0000]
_ce... |
mp-15782 | KPrS2 | data_[K3Pr3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pr 1.1300 1.8500 1.0600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2335]
_cell_length_b [4.2335]
_cell_length_c [22.2008]
_cell_... |
mp-23194 | LaI2 | data_[La2I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9523]
_cell_length_b [3.9523]
_cell_length_c [14.9524]
_cell_angle_alpha [90.0000]
_cell_... |
mp-10913 | GeO2 | data_[Ge4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [4.3746]
_cell_length_b [5.4090]
_cell_length_c [4.8394]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1225859 | CsTi2(OF)3 | data_[Cs8Ti16O24F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [F222]
_cell_length_a [10.1464]
_cell_length_b [10.... |
mp-1225600 | ErGePd | data_[Er4Ge4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4118]
_cell_length_b [4.3728]
_cell_length_c [6.9664]
_c... |
mp-1220972 | NaLiZnS2 | data_[Na1Li1Zn1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.9821]
_cell_length_b [3.982... |
mp-4014 | Pr(CuSi)2 | data_[Pr2Cu4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0912]
_cell_length_b [4.0912]
_cell_length_c [9.9872]
_... |
mp-1852 | UF5 | data_[U2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.8804]
_cell_length_b [6.8804]
_cell_length_c [4.5350]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-1567925 | CaV(GeO3)2 | data_[Ca4V4Ge8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
V 1.6300 1.3500 0.7775
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3910]
_cell_length_b [9.196... |
mp-1209227 | RbCaBr3 | data_[Rb1Ca1Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ca 1.0000 1.8000 1.1400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.7367]
_cell_length_b [5.7367]
_cell_length_c [5.7367]
_c... |
mp-1225962 | Eu3Ni7B2 | data_[Eu3Ni7B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.2291]
_cell_length_b [5.2291]
_cell_length_c [7.2493]
_cel... |
mp-997038 | AgPdO2 | data_[Ag2Pd2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2963]
_cell_length_b [3.0801]
_cell_length_c [6.4518]
_cell... |
mp-1228025 | Ba3Sr(ClF)4 | data_[Ba3Sr1Cl4F4]
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
Cl 3.1600 1.0000 0.7800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.3884]
_cell_length_b [4.388... |
mp-1105765 | NaNbO3 | data_[Na4Nb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6115]
_cell_length_b [7.9095]
_cell_length_c [5.5628]
_cel... |
mp-22571 | BaNdMn2O6 | data_[Ba1Nd1Mn2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nd 1.1400 1.8500 1.2765
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9398]
_cell_length_b [3.9... |
mp-20555 | NaPb3 | data_[Na1Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9466]
_cell_length_b [4.9466]
_cell_length_c [4.9466]
_cell_angle_alpha [90.0000]
_cell_... |
mp-754205 | CrFe2O5 | data_[Cr4Fe8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1545]
_cell_length_b [5.1192]
_cell_length_c [7.0666]
_ce... |
mp-865813 | YbMgTl2 | data_[Yb4Mg4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4789]
_cell_length_b [7.4789]
_cell_length_c [7.4789]
_c... |
mp-761873 | KTiF4 | data_[K4Ti8F32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ti 1.5400 1.4000 0.8517
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [13.0217]
_cell_length_b [8.7018]
_cell_length_c [4.0122]
_cell_a... |
mp-3173 | CaAlSi | data_[Ca1Al1Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.2041]
_cell_length_b [4.2041]
_cell_length_c [4.3811]
_c... |
mp-978991 | TmMg5 | data_[Tm2Mg10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.1995]
_cell_length_b [3.3930]
_cell_length_c [7.3953]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1068906 | CeSi3Ir | data_[Ce2Si6Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.2341]
_cell_length_b [4.2341]
_cell_length_c [9.8155]
_ce... |
mp-10994 | TmCuAs2 | data_[Tm2Cu2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
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 [3.8762]
_cell_length_b [3.8762]
_cell_length_c [9.7935]
_... |
mp-1113585 | Cs2LaAgCl6 | data_[Cs8La4Ag4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
La 1.1000 1.9500 1.1720
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.1045]
_cell_length_b [... |
mp-1190232 | Yb3Sn5 | data_[Yb12Sn20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.1498]
_cell_length_b [8.2537]
_cell_length_c [10.5103]
_cell_angle_alpha [90.0000]
_ce... |
mp-862293 | La2AgIr | data_[La8Ag4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ag 1.9300 1.6000 1.0867
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3892]
_cell_length_b [7.3892]
_cell_length_c [7.3892]
_c... |
mp-1184195 | ErGa3 | data_[Er2Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.2122]
_cell_length_b [6.2122]
_cell_length_c [4.6026]
_cell_angle_alpha [90.0000]
_ce... |
mp-1607 | YbCu5 | data_[Yb1Cu5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9684]
_cell_length_b [4.9684]
_cell_length_c [4.0843]
_cell_angle_alpha [90.0000]
_cell... |
mp-30120 | K3BiO4 | data_[K6Bi2O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5566]
_cell_length_b [6.7231]
_cell_length_c [7.8329]
_cell_an... |
mp-1211709 | K2RbHoV2O8 | data_[K2Rb1Ho1V2O8]
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
Ho 1.2300 1.7500 1.0410
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-1206935 | Tm6FeBi2 | data_[Tm6Fe1Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Fe 1.8300 1.4000 0.8525
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.2282]
_cell_length_b [8.2282]
_cell_length_c [4.1434]
_c... |
mp-20265 | LiIn2Pt | data_[Li4In8Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6219]
_cell_length_b [6.6219]
_cell_length_c [6.6219]
_c... |
mp-979424 | YErIn2 | data_[Y4Er4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4973]
_cell_length_b [7.4973]
_cell_length_c [7.4973]
_cel... |
mp-5334 | YbSbAu | data_[Yb2Sb2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.7068]
_cell_length_b [4.7068]
_cell_length_c [7.6724]
_... |
mp-862316 | LiBePt2 | data_[Li4Be4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Be 1.5700 1.0500 0.5900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7580]
_cell_length_b [5.7580]
_cell_length_c [5.7580]
_c... |
mp-542537 | SrIn2Rh | data_[Sr4In8Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4268]
_cell_length_b [11.0342]
_cell_length_c [8.0893]
_c... |
mp-985 | TmCu | data_[Tm1Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.4151]
_cell_length_b [3.4151]
_cell_length_c [3.4151]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1078216 | Sr2Ti2Bi2OF2 | data_[Sr4Ti4Bi4O2F4]
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
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_... |
mp-1023959 | TeMoS | data_[Te2Mo2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3602]
_cell_length_b [3.3602]
_cell_length_c [23.8694]
_cel... |
mp-19765 | In2HgTe4 | data_[In4Hg2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.4135]
_cell_length_b [6.4135]
_cell_length_c [12.7179]
_ce... |
mp-1216663 | TmGaAu | data_[Tm4Ga4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4025]
_cell_length_b [4.4981]
_cell_length_c [7.0172]
_c... |
mp-768358 | ScInO3 | data_[Sc2In2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.4664]
_cell_length_b [3.4664]
_cell_length_c [12.7487]
... |
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