Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-866279 | CaCdPd2 | data_[Ca4Cd4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7904]
_cell_length_b [6.7904]
_cell_length_c [6.7904]
_c... |
mp-1232340 | Ba2CaCu2MoO8 | data_[Ba2Ca1Cu2Mo1O8]
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
Cu 1.9000 1.3500 0.8200
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_lengt... |
mp-27980 | U(OF)2 | data_[U3O6F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2457]
_cell_length_b [4.2457]
_cell_length_c [16.9024]
_cell_an... |
mp-1184590 | Ho2MgTl | data_[Ho8Mg4Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
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 [7.5260]
_cell_length_b [7.5260]
_cell_length_c [7.5260]
_c... |
mp-1290650 | V3(O2F)2 | data_[V6O8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.6225]
_cell_length_b [4.6780]
_cell_length_c [7.7167]
_cell_ang... |
mp-1173977 | Li3Co2O5 | data_[Li6Co4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0268]
_cell_length_b [5.8143]
_cell_length_c [6.5351]
_cell... |
mp-1189753 | Sr5Ni2BiO10 | data_[Sr10Ni4Bi2O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ni 1.9100 1.3500 0.7400
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.3448]
_cell_length_b [5... |
mp-1246931 | Lu3Mg2VS8 | data_[Lu9Mg6V3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mg 1.3100 1.5000 0.8600
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7013]
_cell_length_b [7.7013... |
mp-18783 | Ca2FeMoO6 | data_[Ca4Fe2Mo2O12]
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
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4576]
_cell_length_b [5.... |
mp-1174304 | Li6Mn3CoO10 | data_[Li12Mn6Co2O20]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [24.2067]
_cell_length_b [2.87... |
mp-755889 | LiV2F7 | data_[Li4V8F28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.9387]
_cell_length_b [7.3200]
_cell_length_c [5.2252]
_cell... |
mp-997090 | PdAuO2 | data_[Pd4Au4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6047]
_cell_length_b [3.0938]
_cell_length_c [6.3087]
_cel... |
mp-977542 | LiTbTl2 | data_[Li4Tb4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tb 1.1000 1.7500 0.9815
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3721]
_cell_length_b [7.3721]
_cell_length_c [7.3721]
_c... |
mp-10734 | Ti4O5 | data_[Ti8O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.6380]
_cell_length_b [6.6380]
_cell_length_c [4.1878]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-625 | Mg3Ru2 | data_[Mg12Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4_132]
_cell_length_a [6.9646]
_cell_length_b [6.9646]
_cell_length_c [6.9646]
_cell_angle_alpha [90.0000]
_cel... |
mp-1667426 | Li3V4FeO12 | data_[Li6V8Fe2O24]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.8631]
_cell_length_b [8.5368]... |
mp-12737 | YB2Rh2C | data_[Y2B4Rh4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8066]
_cell_length_b [3.8066]... |
mp-862837 | PmAlAg2 | data_[Pm4Al4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9704]
_cell_length_b [6.9704]
_cell_length_c [6.9704]
_c... |
mp-1017564 | Eu2O3 | data_[Eu2O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.7943]
_cell_length_b [3.7943]
_cell_length_c [5.9860]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-558340 | Nd5As2ClO10 | data_[Nd10As4Cl2O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
As 2.1800 1.1500 0.6600
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5344]
_cell_length_b [5.... |
mp-1215433 | YbLuAl4 | data_[Yb4Lu4Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Lu 1.2700 1.7500 1.0010
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8570]
_cell_length_b [7.8570]
_cell_length_c [7.8570]
_... |
mp-1229041 | AgTe3 | data_[Ag1Te3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1358]
_cell_length_b [3.1358]
_cell_length_c [12.6819]
_cell_angle_alpha [90.0000]
_cel... |
mp-975665 | Nd(Ge3Pt)4 | data_[Nd2Ge24Pt8]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.7257]
_cell_length_b [8.7257]
_cell_length_c [8.7257]
_c... |
mp-9267 | Er2MnC4 | data_[Er8Mn4C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mn 1.5500 1.4000 0.8775
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.5470]
_cell_length_b [9.4473]
_cell_length_c [5.0089]
_cel... |
mp-556939 | NpIO | data_[Np2I2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0005]
_cell_length_b [4.0005]
_cell_length_c [9.2983]
_cell... |
mp-1981 | Ba2Sn | data_[Ba8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.8410]
_cell_length_b [5.6865]
_cell_length_c [10.7500]
_cell_angle_alpha [90.0000]
_cell_... |
mp-973662 | Lu2ZnCu | data_[Lu8Zn4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9035]
_cell_length_b [6.9035]
_cell_length_c [6.9035]
_c... |
mp-867909 | ScCdRh2 | data_[Sc4Cd4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4632]
_cell_length_b [6.4632]
_cell_length_c [6.4632]
_c... |
mp-13797 | K2NaCuF6 | data_[K8Na4Cu4F24]
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
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 [8.3709]
_cell_length_b [8.370... |
mp-542988 | Gd(CoGe)2 | data_[Gd2Co4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9845]
_cell_length_b [3.9845]
_cell_length_c [10.1813]
... |
mp-867117 | Sc2CuPt | data_[Sc8Cu4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5460]
_cell_length_b [6.5460]
_cell_length_c [6.5460]
_c... |
mp-1207086 | MgAlB4 | data_[Mg1Al1B4]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [3.0391]
_cell_length_b [3.0391]
_cell_length_c [6.7439]
_ce... |
mp-31091 | Lu2Pd2Pb | data_[Lu4Pd4Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8837]
_cell_length_b [7.8837]
_cell_length_c [3.5080]
_... |
mp-1079133 | LuZnSn2 | data_[Lu2Zn2Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
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 [4.3279]
_cell_length_b [4.3279]
_cell_length_c [9.7453]
_... |
mp-1189987 | Dy4Ga12Fe | data_[Dy8Ga24Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.5976]
_cell_length_b [8.5976]
_cell_length_c [8.5976]
_... |
mp-8885 | BaCdS2 | data_[Ba4Cd4S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4626]
_cell_length_b [4.2259]
_cell_length_c [14.2638]
_cel... |
mp-1218269 | SrLa3(Cu2O5)2 | data_[Sr1La3Cu4O10]
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
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4874]
_cell_length_b [3.9031... |
mp-10052 | TiAs | data_[Ti2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.6704]
_cell_length_b [3.6704]
_cell_length_c [6.1062]
_cell_angle_alpha [90.0000]
_ce... |
mp-1079136 | U2InPt2 | data_[U4In2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8261]
_cell_length_b [7.8261]
_cell_length_c [3.6319]
_ce... |
mp-7583 | SiS2 | data_[Si4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.6505]
_cell_length_b [5.6505]
_cell_length_c [8.7036]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-559435 | CoF3 | data_[Co1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8270]
_cell_length_b [3.8270]
_cell_length_c [3.8270]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-571534 | Sr(AsPt)2 | data_[Sr4As8Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.0942]
_cell_length_b [4.5256]
_cell_length_c [8.9984]
... |
mp-2873 | Ce(CrB3)2 | data_[Ce2Cr4B12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cr 1.6600 1.4000 0.9400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.0727]
_cell_length_b [6.5366]
_cell_length_c [8.3240]
_cel... |
mp-10436 | Tb(AlSi)2 | data_[Tb1Al2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2186]
_cell_length_b [4.2186]
_cell_length_c [6.5908]
_c... |
mp-1185475 | Lu3Mg | data_[Lu6Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.8643]
_cell_length_b [6.8643]
_cell_length_c [5.4713]
_cell_angle_alpha [90.0000]
_ce... |
mp-1213959 | CaSbPd | data_[Ca4Sb4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4047]
_cell_length_b [4.6814]
_cell_length_c [7.9781]
_ce... |
mp-19734 | MgPbF6 | data_[Mg3Pb3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pb 2.3300 1.8000 1.1225
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.2985]
_cell_length_b [5.2985]
_cell_length_c [14.4276]
_cel... |
mp-1029396 | SrHfN2 | data_[Sr2Hf2N4]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0432]
_cell_length_b [4.0432]
_cell_length_c [8.2915]
_ce... |
mp-1222923 | LaPr3Mn4O12 | data_[La1Pr3Mn4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5403]
_cell_length_b [7.9302... |
mp-1206022 | TmCdCu4 | data_[Tm4Cd4Cu16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1637]
_cell_length_b [7.1637]
_cell_length_c [7.1637]
_... |
mvc-11995 | Ca(CoO2)2 | data_[Ca8Co16O32]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.4784]
_cell_length_b [8.4784]
_cell_length_c [8.4784]
_c... |
mp-1018123 | TiAu2 | data_[Ti2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.4667]
_cell_length_b [3.4667]
_cell_length_c [8.6205]
_cell_angle_alpha [90.0000]
_cell... |
mp-1209619 | Rb3BiF6 | data_[Rb9Bi3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Bi 2.0200 1.6000 1.0350
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.5012]
_cell_length_b [11.5012]
_cell_length_c [9.3487]
_c... |
mp-1224653 | GdTa4O12 | data_[Gd2Ta8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.9430]
_cell_length_b [7.8997]
_cell_length_c [7.9067]
_cel... |
mp-569989 | Nb2C | data_[Nb8C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.0233]
_cell_length_b [3.1069]
_cell_length_c [4.9996]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1215808 | Yb(AlCu)6 | data_[Yb2Al12Cu12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0629]
_cell_length_b [8.5928]
_cell_length_c [8.7226]
_... |
mvc-14665 | ZnSbF6 | data_[Zn3Sb3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Sb 2.0500 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.5487]
_cell_length_b [5.5487]
_cell_length_c [14.2019]
_cel... |
mp-1232230 | EuSe2 | data_[Eu2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1060]
_cell_length_b [4.1060]
_cell_length_c [8.9520]
_cell_angle_alpha [90.0000]
_cell... |
mp-1520657 | BaSrHfSnO6 | data_[Ba4Sr4Hf4Sn4O24]
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
Hf 1.3000 1.5500 0.8500
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-9824 | Ho2Se3 | data_[Ho32Se48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.2216]
_cell_length_b [11.5128]
_cell_length_c [24.4507]
_cell_angle_alpha [90.0000]
_ce... |
mp-1224023 | K3H(SO4)2 | data_[K6H2S4O16]
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
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7549]
_cell_length_b [5.8372]
_c... |
mvc-11094 | CaLa2VO6 | data_[Ca3La6V3O18]
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
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.8948]
_cell_length_b [5.8948]... |
mp-1184536 | GdBi3 | data_[Gd2Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6851]
_cell_length_b [4.6851]
_cell_length_c [10.8369]
_cell_angle_alpha [90.0000]
_cel... |
mp-1102344 | Sm2Al | data_[Sm8Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6650]
_cell_length_b [5.2082]
_cell_length_c [9.6538]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-8310 | Li(NiP)2 | data_[Li2Ni4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7703]
_cell_length_b [3.7703]
_cell_length_c [9.1456]
_ce... |
mp-5766 | CeCuS2 | data_[Ce4Cu4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4576]
_cell_length_b [7.1988]
_cell_length_c [6.8991]
_ce... |
mp-1112896 | Cs2AlInI6 | data_[Cs8Al4In4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.2227]
_cell_length_b [12... |
mp-754240 | CaSm2O4 | data_[Ca8Sm16O32]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [9.9016]
_cell_length_b [9.9016]
_cell_length_c [9.9016]
_c... |
mp-553082 | PrBi2ClO4 | data_[Pr1Bi2Cl1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Bi 2.0200 1.6000 1.0350
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9728]
_cell_length_b [3.9... |
mp-1218765 | Sr2MnCrO6 | data_[Sr2Mn1Cr1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mn 1.5500 1.4000 0.8775
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5005]
_cell_length_b [5.5... |
mp-557837 | SiO2 | data_[Si8O16]
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 [C2/c]
_cell_length_a [8.9810]
_cell_length_b [4.9222]
_cell_length_c [8.7988]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-865015 | MnSiRh2 | data_[Mn4Si4Rh8]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0033]
_cell_length_b [6.0033]
_cell_length_c [6.0033]
_c... |
mp-1186474 | Pm2MgCd | data_[Pm8Mg4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6929]
_cell_length_b [7.6929]
_cell_length_c [7.6929]
_c... |
mp-1206479 | YbTlCu4 | data_[Yb4Tl4Cu16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2245]
_cell_length_b [7.2245]
_cell_length_c [7.2245]
_... |
mp-1030295 | Te3MoWSe | data_[Te6Mo2W2Se2]
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
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.5000]
_cell_length_b [3.500... |
mp-649 | FePt3 | data_[Fe1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8696]
_cell_length_b [3.8696]
_cell_length_c [3.8696]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1247131 | Mg2ScMn3S8 | data_[Mg6Sc3Mn9S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
Mn 1.5500 1.4000 0.8775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3689]
_cell_length_b [7.36... |
mp-1207345 | Cs2PrF6 | data_[Cs2Pr1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pr 1.1300 1.8500 1.0600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.3633]
_cell_length_b [7.3633]
_cell_length_c [3.9086]
_cel... |
mp-1224796 | Ga2S3 | data_[Ga4S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.7127]
_cell_length_b [11.2497]
_cell_length_c [5.4700]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1205911 | TmCdAu | data_[Tm3Cd3Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8713]
_cell_length_b [7.8713]
_cell_length_c [3.7610]
_c... |
mp-755759 | ZrO2 | data_[Zr4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.4138]
_cell_length_b [3.4818]
_cell_length_c [3.8810]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1017 | Zr3O | data_[Zr6O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_322]
_cell_length_a [5.6677]
_cell_length_b [5.6677]
_cell_length_c [5.2347]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1189264 | UNiS3 | data_[U4Ni4S12]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0610]
_cell_length_b [8.3290]
_cell_length_c [5.9459]
_cell_... |
mp-1185937 | MgPb | data_[Mg2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.5271]
_cell_length_b [3.4095]
_cell_length_c [5.6625]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1205307 | WSCl4 | data_[W2S2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4439]
_cell_length_b [7.4781]
_cell_length_c [8.6171]
_cell_an... |
mp-1221816 | Mn2NiSb2Pt | data_[Mn6Ni3Sb6Pt3]
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
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2775]
_cell_length_b [4.27... |
mp-9947 | SiC | data_[Si21C21]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.0955]
_cell_length_b [3.0955]
_cell_length_c [53.1296]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1185066 | La3Hg | data_[La6Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.9183]
_cell_length_b [4.9183]
_cell_length_c [10.6307]
_cell_angle_alpha [90.0000]
_cel... |
mp-1111244 | K2LiSmCl6 | data_[K8Li4Sm4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Sm 1.1700 1.8500 1.2290
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.5073]
_cell_length_b [10... |
mp-1225072 | Er2CuNi | data_[Er4Cu2Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3474]
_cell_length_b [3.6783]
_cell_length_c [10.0822]
_c... |
mp-11467 | NdHg | data_[Nd1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8432]
_cell_length_b [3.8432]
_cell_length_c [3.8432]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1245798 | LiFeN | data_[Li4Fe4N4]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.3543]
_cell_length_b [2.8821]
_cell_length_c [4.3325]
_cell... |
mp-1043 | HfV2 | data_[Hf8V16]
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
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.3151]
_cell_length_b [7.3151]
_cell_length_c [7.3151]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-867787 | RbTl2Bi | data_[Rb4Tl8Bi4]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3241]
_cell_length_b [8.3241]
_cell_length_c [8.3241]
_c... |
mp-755082 | Sr3(AsO4)2 | data_[Sr9As6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6751]
_cell_length_b [5.6751]
_cell_length_c [20.3413]
_ce... |
mp-865194 | TmF3 | data_[Tm2F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6099]
_cell_length_b [3.6099]
_cell_length_c [6.3854]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1283513 | Cr2CuO4 | data_[Cr8Cu4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [6.1019]
_cell_length_b [6.1019]
_cell_length_c [8.0153]
_c... |
mp-9318 | KZrCuSe3 | data_[K4Zr4Cu4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Zr 1.3300 1.5500 0.8600
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9073]
_cell_length_b [14.9... |
mp-1522522 | BaCeEuNbO6 | data_[Ba2Ce2Eu2Nb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ce 1.1200 1.8500 1.0800
Eu 1.2000 1.8500 1.1985
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_... |
mp-1096978 | Eu2Sc2O5 | data_[Eu8Sc8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Sc 1.3600 1.6000 0.8850
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [15.6245]
_cell_length_b [5.9866]
_cell_length_c [5.7596]
_ce... |
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