Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-504603 | Cs2TlFeF6 | data_[Cs8Tl4Fe4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
Fe 1.8300 1.4000 0.8525
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.3851]
_cell_length_b [9.3... |
mp-29201 | TbCd2F8 | data_[Tb2Cd4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cd 1.6900 1.5500 1.0900
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.3468]
_cell_length_b [5.3468]
_cell_length_c [11.4661]
_cel... |
mp-568654 | PrAg2 | data_[Pr1Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.8465]
_cell_length_b [4.8465]
_cell_length_c [3.6227]
_cell_angle_alpha [90.0000]
_cell... |
mp-1176476 | Mn3(O2F)2 | data_[Mn6O8F4]
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 [P2_1/c]
_cell_length_a [7.6919]
_cell_length_b [4.6071]
_cell_length_c [5.5275]
_cell... |
mp-10559 | Gd3AuO6 | data_[Gd3Au1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.6864]
_cell_length_b [5.6351]
_cell_length_c [7.1554]
_cell_... |
mp-5591 | U(NiGe)2 | data_[U2Ni4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0510]
_cell_length_b [4.0510]
_cell_length_c [9.7877]
_ce... |
mp-11585 | La2MgGeO6 | data_[La6Mg3Ge3O18]
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
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.5807]
_cell_length_b [5.580... |
mp-504849 | Cs2Li2SiO4 | data_[Cs4Li4Si2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Li 0.9800 1.4500 0.9000
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6246]
_cell_length_b [5.8175... |
mp-1253 | BaSe | data_[Ba4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6866]
_cell_length_b [6.6866]
_cell_length_c [6.6866]
_cell_angle_alpha [90.0000]
_cell_... |
mp-753012 | LiVTe(WO6)2 | data_[Li1V1Te1W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
Te 2.1000 1.4000 1.2933
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.... |
mp-978262 | MgTl3 | data_[Mg2Tl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.8777]
_cell_length_b [6.8777]
_cell_length_c [5.6364]
_cell_angle_alpha [90.0000]
_ce... |
mp-29238 | TlAgSe | data_[Tl4Ag4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.4751]
_cell_length_b [4.7009]
_cell_length_c [7.6861]
_ce... |
mp-1226581 | CeRuRh | data_[Ce4Ru4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.0950]
_cell_length_b [5.3998]
_cell_length_c [7.9343]
_ce... |
mp-12383 | Sc2Te3 | data_[Sc32Te48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.3227]
_cell_length_b [11.7494]
_cell_length_c [24.8349]
_cell_angle_alpha [90.0000]
_ce... |
mp-1094684 | CeMg2 | data_[Ce2Mg4]
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-3m1]
_cell_length_a [3.1771]
_cell_length_b [3.1771]
_cell_length_c [16.4111]
_cell_angle_alpha [90.0000]
_cell... |
mp-7603 | Li2TiF6 | data_[Li4Ti2F12]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.7218]
_cell_length_b [4.7218]
_cell_length_c [9.0690]
... |
mp-1207121 | Fe2SiNi | data_[Fe8Si4Ni4]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.6391]
_cell_length_b [5.6391]
_cell_length_c [5.6391]
_c... |
mp-1216805 | USiPt | data_[U4Si4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0736]
_cell_length_b [4.3041]
_cell_length_c [6.9100]
_cel... |
mp-21379 | SmInIr | data_[Sm3In3Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5821]
_cell_length_b [7.5821]
_cell_length_c [4.0489]
_c... |
mp-1216547 | Tm4MgS7 | data_[Tm8Mg2S14]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.4789]
_cell_length_b [3.7588]
_cell_length_c [11.3844]
_cel... |
mp-1094776 | Mg2Cd | data_[Mg8Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5937]
_cell_length_b [3.1981]
_cell_length_c [7.3835]
_cell_angle_alpha [90.0000]
_cell_... |
mp-776021 | Li4Sb(TeO4)3 | data_[Li4Sb1Te3O12]
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
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [5.1334]
_cell_length_b [9.1155... |
mp-1228125 | BaCdPb | data_[Ba4Cd4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cd 1.6900 1.5500 1.0900
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3515]
_cell_length_b [5.4316]
_cell_length_c [8.6005]
_c... |
mp-1184368 | FeRh3 | data_[Fe2Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4319]
_cell_length_b [5.4319]
_cell_length_c [4.3587]
_cell_angle_alpha [90.0000]
_ce... |
mp-1217328 | ThMn3Al2 | data_[Th2Mn6Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.4598]
_cell_length_b [8.7154]
_cell_length_c [4.1951]
_ce... |
mp-1025290 | La2Fe2Si2C | data_[La4Fe4Si4C2]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9575]
_cell_length_b [4.01... |
mp-16305 | ScPRu | data_[Sc3P3Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.5664]
_cell_length_b [6.5664]
_cell_length_c [3.6418]
_cel... |
mp-754826 | CsScO2 | data_[Cs8Sc8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sc 1.3600 1.6000 0.8850
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [9.0960]
_cell_length_b [9.0960]
_cell_length_c [9.0960]
_ce... |
mp-1103449 | Yb(P2Rh3)2 | data_[Yb1P4Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
P 2.1900 1.0000 0.5500
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [7.0174]
_cell_length_b [7.0174]
_cell_length_c [3.7147]
_cell_... |
mp-18765 | Na2NiO2 | data_[Na8Ni4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [2.8654]
_cell_length_b [10.2165]
_cell_length_c [8.3011]
_c... |
mp-21407 | EuAl9Co2 | data_[Eu1Al9Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [7.8951]
_cell_length_b [7.8951]
_cell_length_c [3.9008]
_... |
mp-1207117 | Fe2CoSi | data_[Fe8Co4Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.6078]
_cell_length_b [5.6078]
_cell_length_c [5.6078]
_c... |
mp-15886 | Na2US3 | data_[Na8U4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
U 1.3800 1.7500 0.9913
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9995]
_cell_length_b [12.1127]
_cell_length_c [7.0290]
_cell... |
mp-867333 | Ba2CdPb | data_[Ba8Cd4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cd 1.6900 1.5500 1.0900
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6099]
_cell_length_b [8.6099]
_cell_length_c [8.6099]
_c... |
mp-1008903 | MgAgSb | data_[Mg4Ag4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5688]
_cell_length_b [6.5688]
_cell_length_c [6.5688]
_c... |
mvc-15358 | Ca2NiN2 | data_[Ca8Ni4N8]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7917]
_cell_length_b [4.9702]
_cell_length_c [6.7563]
_cel... |
mp-20987 | YZnSn | data_[Y4Zn4Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5112]
_cell_length_b [4.5112]
_cell_length_c [16.1192]
... |
mp-1120763 | Cs3VSe4 | data_[Cs6V2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
V 1.6300 1.3500 0.7775
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [8.6945]
_cell_length_b [8.6945]
_cell_length_c [8.6945]
_cel... |
mp-755269 | V3O5F | data_[V6O10F2]
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 [P-1]
_cell_length_a [4.6561]
_cell_length_b [5.5561]
_cell_length_c [7.5017]
_cell_ang... |
mp-30434 | BaTl2 | data_[Ba2Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.3765]
_cell_length_b [5.3765]
_cell_length_c [8.6794]
_cell_angle_alpha [90.0000]
_ce... |
mp-1605 | Ag3O4 | data_[Ag6O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [3.7720]
_cell_length_b [9.3480]
_cell_length_c [5.7457]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1179708 | RbNi2F6 | data_[Rb4Ni8F24]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.1191]
_cell_length_b [7.4360]
_cell_length_c [9.9663]
_cel... |
mp-9619 | Th(FeP3)4 | data_[Th2Fe8P24]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.8046]
_cell_length_b [7.8046]
_cell_length_c [7.8046]
_cel... |
mp-1221455 | MoCl2O | data_[Mo2Cl4O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6861]
_cell_length_b [3.8644]
_cell_length_c [13.0432]
_cel... |
mp-655489 | Pb4SeBr6 | data_[Pb8Se2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.3745]
_cell_length_b [16.0462]
_cell_length_c [10.1722]
... |
mp-763425 | LiMn2F7 | data_[Li4Mn8F28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.1784]
_cell_length_b [5.1211]
_cell_length_c [5.6020]
_ce... |
mp-1185892 | MgMnPd2 | data_[Mg4Mn4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.8775
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2905]
_cell_length_b [6.2905]
_cell_length_c [6.2905]
_c... |
mp-753203 | VO2F | data_[V4O8F4]
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 [Cc]
_cell_length_a [9.1230]
_cell_length_b [5.0510]
_cell_length_c [5.2270]
_cell_angle... |
mp-1226343 | CrFe11Si4 | data_[Cr3Fe33Si12]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9493]
_cell_length_b [3.9493]
_cell_length_c [38.7964]
... |
mp-1216779 | TlIn5Se8 | data_[Tl2In10Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3568]
_cell_length_b [4.0695]
_cell_length_c [9.9131]
... |
mp-1226839 | Ce2AlFe3 | data_[Ce6Al3Fe9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2685]
_cell_length_b [5.2685]
_cell_length_c [12.4512]
_c... |
mp-2958 | Dy(BC)2 | data_[Dy2B4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [5.3517]
_cell_length_b [5.3517]
_cell_length_c [3.5710]
_cell... |
mp-1189107 | CsTi2Cl7 | data_[Cs2Ti4Cl14]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.2941]
_cell_length_b [6.3614]
_cell_length_c [12.2728]
_... |
mp-973634 | Ho(AlC)3 | data_[Ho2Al6C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.4288]
_cell_length_b [3.4288]
_cell_length_c [17.3005]
... |
mp-565431 | Rb(WO3)3 | data_[Rb1W3O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [7.5301]
_cell_length_b [7.5301]
_cell_length_c [3.8830]
_cell... |
mp-1078389 | MoN | data_[Mo4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.8711]
_cell_length_b [2.8711]
_cell_length_c [11.4637]
_cell_angle_alpha [90.0000]
_cel... |
mp-18750 | Mn(FeO2)2 | data_[Mn8Fe16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.6252]
_cell_length_b [8.6252]
_cell_length_c [8.6252]
_c... |
mp-632667 | YbH2 | data_[Yb2H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.7905]
_cell_length_b [3.7905]
_cell_length_c [5.0758]
_cell_angle_alpha [90.0000]
_cell... |
mp-755852 | Mn6O7F5 | data_[Mn12O14F10]
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 [9.2678]
_cell_length_b [6.3995]
_cell_length_c [7.5770]
_cell_... |
mp-274 | Nb5Sb4 | data_[Nb10Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.4204]
_cell_length_b [10.4204]
_cell_length_c [3.5855]
_cell_angle_alpha [90.0000]
_cel... |
mp-779009 | Ni3OF5 | data_[Ni6O2F10]
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 [P1]
_cell_length_a [4.7021]
_cell_length_b [5.6316]
_cell_length_c [7.7739]
_cell_an... |
mp-865098 | NaLaAu2 | data_[Na4La4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
La 1.1000 1.9500 1.1720
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3256]
_cell_length_b [7.3256]
_cell_length_c [7.3256]
_c... |
mp-1220905 | NaTmTi2O6 | data_[Na2Tm2Ti4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tm 1.2500 1.7500 1.0950
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.6039]
_cell_length_b [5.... |
mp-605350 | RbPbF3 | data_[Rb4Pb4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pb 2.3300 1.8000 1.1225
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6851]
_cell_length_b [4.9480]
_cell_length_c [17.8362]
_cel... |
mp-2268 | TbAg | data_[Tb1Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.6601]
_cell_length_b [3.6601]
_cell_length_c [3.6601]
_cell_angle_alpha [90.0000]
_cell_... |
mp-981215 | Zn3Co | data_[Zn3Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7338]
_cell_length_b [3.7338]
_cell_length_c [3.7338]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1222102 | Mn12SiP3 | data_[Mn12Si1P3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4826]
_cell_length_b [6.6967]
_cell_length_c [6.7522]
_cell_... |
mp-553956 | P2Pb3O8 | data_[P4Pb6O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5436]
_cell_length_b [5.6411]
_cell_length_c [7.5810]
_cell_... |
mp-1217224 | Ti4Co5Ni | data_[Ti4Co5Ni1]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0301]
_cell_length_b [3.0301]
_cell_length_c [13.9458]
... |
mp-639 | US2 | data_[U4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0261]
_cell_length_b [4.0549]
_cell_length_c [8.4578]
_cell_angle_alpha [90.0000]
_cell_angle... |
mp-5423 | Pr(MnSi)2 | data_[Pr2Mn4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9872]
_cell_length_b [3.9872]
_cell_length_c [10.5279]
... |
mp-1223588 | KFe4(SiO4)3 | data_[K1Fe4Si3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
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 [P1]
_cell_length_a [5.3972]
_cell_length_b [5.3985]
... |
mp-22555 | RhS2 | data_[Rh4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rh 2.2800 1.3500 0.7450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [5.7728]
_cell_length_b [5.7728]
_cell_length_c [5.7728]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-9322 | Rb2Sn2Se5 | data_[Rb8Sn8Se20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.8003]
_cell_length_b [8.7975]
_cell_length_c [12.2702]
... |
mp-1102660 | FeCoSi | data_[Fe4Co4Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [4.8866]
_cell_length_b [3.7806]
_cell_length_c [7.1258]
_ce... |
mp-1216170 | Y(VFe5)2 | data_[Y2V4Fe20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6902]
_cell_length_b [8.4494]
_cell_length_c [8.5108]
_cell_... |
mp-1227060 | CaSmAlO4 | data_[Ca2Sm2Al2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sm 1.1700 1.8500 1.2290
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.6993]
_cell_length_b [3.699... |
mp-984355 | CeErMg2 | data_[Ce4Er4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5734]
_cell_length_b [7.5734]
_cell_length_c [7.5734]
_c... |
mp-1025345 | Ti2CrTe4 | data_[Ti4Cr2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4097]
_cell_length_b [3.8362]
_cell_length_c [6.8950]
_c... |
mp-1217974 | TaB4W3 | data_[Ta1B4W3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
B 2.0400 0.8500 0.4100
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1139]
_cell_length_b [3.2114]
_cell_length_c [8.5991]
_cell_a... |
mp-1071839 | UCu4Au | data_[U4Cu16Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Cu 1.9000 1.3500 0.8200
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1467]
_cell_length_b [7.1467]
_cell_length_c [7.1467]
_ce... |
mp-20092 | EuTa2O6 | data_[Eu1Ta2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9670]
_cell_length_b [3.9670]
_cell_length_c [8.0165]
_ce... |
mp-19933 | PuSb | data_[Pu1Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5395]
_cell_length_b [3.5395]
_cell_length_c [4.2424]
_cell_angle_alpha [90.0000]
_cell... |
mp-1178335 | GaPtO2 | data_[Ga2Pt2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.9551]
_cell_length_b [2.9551]
_cell_length_c [12.3388]
... |
mp-35220 | PHN2 | data_[P4H4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I2_12_12_1]
_cell_length_a [4.7753]
_cell_length_b [4.8159]
_cell_length_c [7.0829]
_ce... |
mp-1188194 | Ta3B2Ru5 | data_[Ta6B4Ru10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
B 2.0400 0.8500 0.4100
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.4671]
_cell_length_b [9.4671]
_cell_length_c [3.0151]
_c... |
mp-865984 | BaTlHg2 | data_[Ba4Tl4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9845]
_cell_length_b [7.9845]
_cell_length_c [7.9845]
_c... |
mp-1224850 | FeSbTe | data_[Fe2Sb2Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.5206]
_cell_length_b [3.6028]
_cell_length_c [6.4158]
_ce... |
mp-19027 | Na5CoSO2 | data_[Na5Co1S1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Co 1.8800 1.3500 0.7683
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6101]
_cell_length_b [4.610... |
mp-1018720 | HfVSi | data_[Hf2V2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
V 1.6300 1.3500 0.7775
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.6600]
_cell_length_b [3.6600]
_cell_length_c [7.1805]
_ce... |
mp-1187479 | YbTaO3 | data_[Yb1Ta1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0033]
_cell_length_b [4.0033]
_cell_length_c [4.0033]
_cel... |
mp-10780 | RbSmSe2 | data_[Rb3Sm3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sm 1.1700 1.8500 1.2290
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3309]
_cell_length_b [4.3309]
_cell_length_c [24.0527]
_c... |
mp-33560 | Ca(CeS2)2 | data_[Ca4Ce8S16]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.5313]
_cell_length_b [8.5313]
_cell_length_c [8.6158]
_ce... |
mp-27280 | Na2MnCl4 | data_[Na4Mn2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mn 1.5500 1.4000 0.8775
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.9666]
_cell_length_b [12.0494]
_cell_length_c [3.8785]
_c... |
mp-1223944 | HoAlFe | data_[Ho8Al8Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.5688]
_cell_length_b [5.3870]
_cell_length_c [9.3802]
_ce... |
mp-11973 | YbSnRh | data_[Yb3Sn3Rh3]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.3063]
_cell_length_b [7.3063]
_cell_length_c [4.1376]
_c... |
mp-11265 | BaCaSn | data_[Ba4Ca4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.9105]
_cell_length_b [5.3252]
_cell_length_c [9.7754]
_ce... |
mp-1216082 | Y2MnS4 | data_[Y8Mn4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.8775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7978]
_cell_length_b [12.4007]
_cell_length_c [12.9053]
_c... |
mp-1105040 | Ta6Zn7 | data_[Ta18Zn21]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0659]
_cell_length_b [5.0659]
_cell_length_c [27.4859]
_cell_angle_alpha [90.0000]
_cel... |
mp-685607 | CsTaSe3 | data_[Cs4Ta4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ta 1.5000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.1891]
_cell_length_b [7.7601]
_cell_length_c [13.4404]
_... |
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