Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-754162 | LiGdO2 | data_[Li4Gd4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Gd 1.2000 1.8000 1.0750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3667]
_cell_length_b [6.2157]
_cell_length_c [6.4860]
_ce... |
mp-1219887 | Pr(AlFe)6 | data_[Pr2Al12Fe12]
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
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0207]
_cell_length_b [8.6397]
_cell_length_c [8.7377]
_... |
mp-1195050 | SnIr2Se5 | data_[Sn2Ir4Se10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7737]
_cell_length_b [3.8192]
_cell_length_c [12.7652]
_... |
mp-1206734 | LiInPt | data_[Li1In1Pt1]
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 [P-6m2]
_cell_length_a [4.4398]
_cell_length_b [4.4398]
_cell_length_c [2.9206]
_c... |
mp-1215775 | Zn3InCuS5 | data_[Zn6In2Cu2S10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.3651]
_cell_length_b [6.7190... |
mp-1184508 | GdSnPd2 | data_[Gd4Sn4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
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 [6.8431]
_cell_length_b [6.8431]
_cell_length_c [6.8431]
_c... |
mp-1102937 | BrNO | data_[Br4N4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4929]
_cell_length_b [6.2616]
_cell_length_c [7.9545]
_cell... |
mp-1176459 | Mn3OF5 | data_[Mn6O2F10]
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 [5.8811]
_cell_length_b [5.8858]
_cell_length_c [7.5918]
_cell_an... |
mp-1185694 | MgBi | data_[Mg2Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.6950]
_cell_length_b [5.9678]
_cell_length_c [5.0213]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1078825 | SrCd2Pd | data_[Sr4Cd8Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5393]
_cell_length_b [10.7106]
_cell_length_c [8.2380]
_c... |
mp-696649 | KH2I3O | data_[K2H4I6O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
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 [Pc]
_cell_length_a [4.6907]
_cell_length_b [10.1800]
_cel... |
mp-10912 | BaPr2FeS5 | data_[Ba4Pr8Fe4S20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pr 1.1300 1.8500 1.0600
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.9457]
_cell_length_b [7.... |
mp-1646508 | CaLaFeWO6 | data_[Ca2La2Fe2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
La 1.1000 1.9500 1.1720
Fe 1.8300 1.4000 0.8525
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [... |
mp-1217572 | TbDy3Al8 | data_[Tb3Dy9Al24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.5660]
_cell_length_b [5.5660]
_cell_length_c [27.2692]
_c... |
mp-13094 | YAl2Ni | data_[Y4Al8Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0517]
_cell_length_b [10.2907]
_cell_length_c [6.8713]
_cel... |
mp-1079048 | V3PN | data_[V12P4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1175]
_cell_length_b [9.6750]
_cell_length_c [7.3898]
_cell_an... |
mp-1094617 | MgGa | data_[Mg3Ga3]
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 [R-3m]
_cell_length_a [3.1094]
_cell_length_b [3.1094]
_cell_length_c [14.1859]
_cell_angle_alpha [90.0000]
_cell_... |
mp-560569 | KPrPdO3 | data_[K4Pr4Pd4O12]
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
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4435]
_cell_length_b [3.989... |
mp-639876 | U2SnRh2 | data_[U4Sn2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.6459]
_cell_length_b [7.6459]
_cell_length_c [3.5885]
_ce... |
mp-608 | TiCo3 | data_[Ti1Co3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.6072]
_cell_length_b [3.6072]
_cell_length_c [3.6072]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1224185 | In3Co | data_[In12Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.2504]
_cell_length_b [9.3240]
_cell_length_c [3.9773]
_cell_angle_alpha [90.0000]
_cell_... |
mp-19003 | MgV2O5 | data_[Mg4V8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7248]
_cell_length_b [10.1953]
_cell_length_c [11.2105]
_cel... |
mp-754811 | Li3Mn5O8 | data_[Li9Mn15O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0899]
_cell_length_b [6.0899]
_cell_length_c [14.9366]
_c... |
mp-9945 | CoTe2 | data_[Co2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [5.3424]
_cell_length_b [6.2860]
_cell_length_c [3.9182]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-21075 | HfC | data_[Hf4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.6513]
_cell_length_b [4.6513]
_cell_length_c [4.6513]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-22490 | Sc3(NiGe)4 | data_[Sc6Ni8Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9187]
_cell_length_b [6.6358]
_cell_length_c [12.9565]
_c... |
mp-1103776 | Yb2FeC4 | data_[Yb8Fe4C16]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.4800]
_cell_length_b [10.1178]
_cell_length_c [4.9979]
_ce... |
mp-10209 | Y3Al3NiGe2 | data_[Y3Al3Ni1Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.9612]
_cell_length_b [6.96... |
mp-1079779 | Tb2InCu2 | data_[Tb4In2Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.6394]
_cell_length_b [7.6394]
_cell_length_c [3.6455]
_... |
mp-21044 | NdGeRh | data_[Nd4Ge4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2478]
_cell_length_b [4.4645]
_cell_length_c [7.5413]
_ce... |
mp-9971 | YGe | data_[Y4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3066]
_cell_length_b [10.7663]
_cell_length_c [3.9689]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-13679 | PdF3 | data_[Pd6F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [5.1840]
_cell_length_b [5.1840]
_cell_length_c [14.2614]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-972180 | YbMgIn2 | data_[Yb4Mg4In8]
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
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3876]
_cell_length_b [7.3876]
_cell_length_c [7.3876]
_c... |
mp-1188000 | Zn3Au | data_[Zn6Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.8159]
_cell_length_b [5.8159]
_cell_length_c [4.2832]
_cell_angle_alpha [90.0000]
_ce... |
mp-1069270 | ZnNi3N | data_[Zn1Ni3N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7605]
_cell_length_b [3.7605]
_cell_length_c [3.7605]
_cel... |
mp-13162 | TbZnSn2 | data_[Tb2Zn2Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3866]
_cell_length_b [4.3866]
_cell_length_c [9.8421]
_... |
mp-1539330 | CaCoF6 | data_[Ca3Co3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Co 1.8800 1.3500 0.7683
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.5755]
_cell_length_b [5.5755]
_cell_length_c [14.2918]
_cel... |
mp-6583 | Ba2Er(CuO2)4 | data_[Ba4Er2Cu8O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.8912]
_cell_length_b [27.4... |
mp-11073 | Ti3In3Rh2 | data_[Ti3In3Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
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 [7.3485]
_cell_length_b [7.3485]
_cell_length_c [3.0826]
_c... |
mp-1247346 | Bi2(CN2)3 | data_[Bi6C9N18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [6.7685]
_cell_length_b [6.7685]
_cell_length_c [15.2821]
_cell_... |
mp-19728 | YSiRh | data_[Y4Si4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9168]
_cell_length_b [4.2488]
_cell_length_c [7.4589]
_cell... |
mp-1113333 | Cs2TbCuCl6 | data_[Cs8Tb4Cu4Cl24]
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
Cu 1.9000 1.3500 0.8200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.5586]
_cell_length_b [... |
mp-1038715 | CeMg | data_[Ce1Mg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.1149]
_cell_length_b [3.1149]
_cell_length_c [5.9839]
_cell_angle_alpha [90.0000]
_cell_... |
mp-6948 | KNaO | data_[K2Na2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0511]
_cell_length_b [4.0511]
_cell_length_c [6.2964]
_cell... |
mp-1227321 | CaCeC4 | data_[Ca2Ce2C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ce 1.1200 1.8500 1.0800
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.3435]
_cell_length_b [6.3371]
_cell_length_c [5.4076]
_cell... |
mp-864716 | PaGaAu2 | data_[Pa4Ga4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9324]
_cell_length_b [6.9324]
_cell_length_c [6.9324]
_c... |
mp-1520009 | SrCaLaSbO6 | data_[Sr2Ca2La2Sb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
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 [P-1]
_cell_length_... |
mp-1220889 | NaSr2LaTi4O12 | data_[Na1Sr2La1Ti4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-42m]
_cell_lengt... |
mp-11157 | SmMgGa | data_[Sm3Mg3Ga3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4095]
_cell_length_b [7.4095]
_cell_length_c [4.5015]
_c... |
mp-22203 | SmMnO3 | data_[Sm4Mn4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9069]
_cell_length_b [7.6030]
_cell_length_c [5.4289]
_cel... |
mp-1095522 | YZnPd | data_[Y4Zn4Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0843]
_cell_length_b [4.1252]
_cell_length_c [8.1709]
_cell... |
mp-19193 | CaFe3O5 | data_[Ca4Fe12O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.0534]
_cell_length_b [10.2923]
_cell_length_c [12.7464]
_... |
mp-1222760 | LaSiAg | data_[La1Si1Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.4238]
_cell_length_b [4.4238]
_cell_length_c [4.2261]
_c... |
mp-19381 | DyCrO3 | data_[Dy4Cr4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6119]
_cell_length_b [7.6553]
_cell_length_c [5.3049]
_cel... |
mp-1797 | MnNi | data_[Mn1Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.9487]
_cell_length_b [2.9487]
_cell_length_c [2.8447]
_cell_angle_alpha [90.0000]
_cell... |
mp-12368 | SbS2NF6 | data_[Sb2S4N2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8105]
_cell_length_b [6.9335]
... |
mp-1186566 | PmErTl2 | data_[Pm4Er4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Er 1.2400 1.7500 1.0300
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6636]
_cell_length_b [7.6636]
_cell_length_c [7.6636]
_c... |
mp-1095577 | Tm4B3C4 | data_[Tm4B3C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.4507]
_cell_length_b [3.5454]
_cell_length_c [11.7730]
_cell_a... |
mp-555173 | UCO5 | data_[U2C2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.8910]
_cell_length_b [9.6655]
_cell_length_c [4.3486]
_cell_an... |
mp-8655 | SmSiRu | data_[Sm2Si2Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Si 1.9000 1.1000 0.5400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2265]
_cell_length_b [4.2265]
_cell_length_c [6.7960]
_... |
mp-1218109 | SrPrFeCoO6 | data_[Sr1Pr1Fe1Co1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pr 1.1300 1.8500 1.0600
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 [P1]
_cell_length_a ... |
mp-1216450 | V6GaSb | data_[V6Ga1Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ga 1.8100 1.3000 0.7600
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3]
_cell_length_a [4.8696]
_cell_length_b [4.8696]
_cell_length_c [4.8696]
_cell... |
mp-1189638 | Sm7Rh3 | data_[Sm14Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.0618]
_cell_length_b [10.0618]
_cell_length_c [6.2624]
_cell_angle_alpha [90.0000]
_c... |
mp-11912 | NaNd2IrO6 | data_[Na2Nd4Ir2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nd 1.1400 1.8500 1.2765
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5520]
_cell_length_b [5.... |
mp-600428 | Mn3Sn2 | data_[Mn12Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4793]
_cell_length_b [5.4146]
_cell_length_c [8.4455]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1187427 | Ti2FeOs | data_[Ti8Fe4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0785]
_cell_length_b [6.0785]
_cell_length_c [6.0785]
_c... |
mp-1217124 | Ti2Co3Sn2 | data_[Ti6Co9Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2546]
_cell_length_b [4.2546]
_cell_length_c [20.6205]
_ce... |
mp-1113880 | Rb2AlCuF6 | data_[Rb8Al4Cu4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3744]
_cell_length_b [8.3... |
mp-1112075 | K2YAgCl6 | data_[K8Y4Ag4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
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 [10.7235]
_cell_length_b [10.7... |
mp-276 | TbNi2 | data_[Tb8Ni16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.1683]
_cell_length_b [7.1683]
_cell_length_c [7.1683]
_cell_angle_alpha [90.0000]
_cell... |
mp-1079852 | ErZnPd | data_[Er3Zn3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Zn 1.6500 1.3500 0.8800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.3194]
_cell_length_b [7.3194]
_cell_length_c [3.7894]
_c... |
mp-1205760 | Sr2LuNbO6 | data_[Sr8Lu4Nb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Lu 1.2700 1.7500 1.0010
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3314]
_cell_length_b [8.3... |
mp-1030709 | TeMoSe | data_[Te4Mo4Se4]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.4407]
_cell_length_b [3.4407]
_cell_length_c [39.0747]
_... |
mp-755304 | Mn6O5F7 | data_[Mn12O10F14]
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 [C2]
_cell_length_a [9.0505]
_cell_length_b [7.0015]
_cell_length_c [7.1749]
_cell_... |
mp-755717 | SmHoO3 | data_[Sm4Ho4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0241]
_cell_length_b [8.4469]
_cell_length_c [5.7651]
_cel... |
mp-862895 | Er2ZnRu | data_[Er8Zn4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Zn 1.6500 1.3500 0.8800
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8938]
_cell_length_b [6.8938]
_cell_length_c [6.8938]
_c... |
mp-12977 | Dy2CdPd2 | data_[Dy4Cd2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.7089]
_cell_length_b [7.7089]
_cell_length_c [3.7545]
_... |
mp-865228 | LiScPt2 | data_[Li4Sc4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sc 1.3600 1.6000 0.8850
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3312]
_cell_length_b [6.3312]
_cell_length_c [6.3312]
_c... |
mp-1183550 | CaTmRh2 | data_[Ca4Tm4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tm 1.2500 1.7500 1.0950
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7791]
_cell_length_b [6.7791]
_cell_length_c [6.7791]
_c... |
mp-1084 | ZrB12 | data_[Zr4B48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4088]
_cell_length_b [7.4088]
_cell_length_c [7.4088]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1080060 | LaAlO3 | data_[La4Al4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.4031]
_cell_length_b [7.6193]
_cell_length_c [5.4165]
_cel... |
mp-22261 | InCuTe2 | data_[In4Cu4Te8]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.2883]
_cell_length_b [6.2883]
_cell_length_c [12.6000]
_... |
mp-973850 | HoGa3 | data_[Ho15Ga45]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0896]
_cell_length_b [6.0896]
_cell_length_c [35.6794]
_cell_angle_alpha [90.0000]
_cel... |
mp-1105922 | Ba2DyGaTe5 | data_[Ba8Dy4Ga4Te20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5187]
_cell_length_b [... |
mp-1217306 | Th2Si3Ni | data_[Th2Si3Ni1]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.0947]
_cell_length_b [4.0947]
_cell_length_c [8.1620]
_c... |
mp-1105948 | Ce5Sn3 | data_[Ce20Sn12]
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 [I4/mcm]
_cell_length_a [8.3394]
_cell_length_b [8.3394]
_cell_length_c [13.6204]
_cell_angle_alpha [90.0000]
_c... |
mp-1189317 | Mg2CrB2Ir5 | data_[Mg4Cr2B4Ir10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cr 1.6600 1.4000 0.9400
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 [9.5156]
_cell_length_b [9.... |
mp-33569 | Sr(LaSe2)2 | data_[Sr4La8Se16]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.1778]
_cell_length_b [9.1778]
_cell_length_c [9.1670]
_... |
mp-1205636 | Ba2DyPaO6 | data_[Ba8Dy4Pa4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Dy 1.2200 1.7500 1.1310
Pa 1.5000 1.8000 1.0400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.8668]
_cell_length_b [8.8... |
mp-1207893 | V5Se8 | data_[V10Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8098]
_cell_length_b [7.1519]
_cell_length_c [8.3826]
_cell_angle_alpha [90.0000]
_cell_... |
mp-22249 | CeSbRh | data_[Ce4Sb4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sb 2.0500 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3416]
_cell_length_b [4.6577]
_cell_length_c [7.8368]
_ce... |
mp-1111621 | K2NaScCl6 | data_[K8Na4Sc4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Sc 1.3600 1.6000 0.8850
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.4461]
_cell_length_b [10... |
mp-4088 | La(FeSi)2 | data_[La2Fe4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0588]
_cell_length_b [4.0588]
_cell_length_c [9.9325]
_... |
mp-561947 | CsHgF3 | data_[Cs1Hg1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Hg 2.0000 1.5000 1.2450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6752]
_cell_length_b [4.6752]
_cell_length_c [4.6752]
_cel... |
mp-5402 | CaTl2O4 | data_[Ca4Tl8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3815]
_cell_length_b [11.2172]
_cell_length_c [10.6525]
_c... |
mp-989612 | LaCrN3 | data_[La8Cr8N24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cr 1.6600 1.4000 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2419]
_cell_length_b [10.1987]
_cell_length_c [6.0121]
_c... |
mp-1103196 | TaFeGe | data_[Ta4Fe4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.2352]
_cell_length_b [3.8408]
_cell_length_c [7.1190]
_ce... |
mp-1218056 | Ta4AgS8 | data_[Ta4Ag1S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.8294]
_cell_length_b [3.3583]
_cell_length_c [13.7645]
_cell_... |
mp-510493 | Ce5Ge3 | data_[Ce10Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.9032]
_cell_length_b [8.9032]
_cell_length_c [6.2171]
_cell_angle_alpha [90.0000]
_c... |
mp-34126 | Cu4SnP10 | data_[Cu12Sn3P30]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.2925]
_cell_length_b [7.2925]
_cell_length_c [17.8769]
_ce... |
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