Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-778404 | Na2NiO2 | data_[Na4Ni2O4]
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 [I4/mmm]
_cell_length_a [4.3754]
_cell_length_b [4.3754]
_cell_length_c [10.3372]
_c... |
mp-1105994 | Th2Se3 | data_[Th8Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.4059]
_cell_length_b [4.0760]
_cell_length_c [11.3570]
_cell_angle_alpha [90.0000]
_cel... |
mp-626528 | NbHO3 | data_[Nb4H4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7561]
_cell_length_b [6.7677]
_cell_length_c [6.7909]
_cell_an... |
mp-973069 | HoLuTl2 | data_[Ho4Lu4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Lu 1.2700 1.7500 1.0010
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5275]
_cell_length_b [7.5275]
_cell_length_c [7.5275]
_c... |
mp-569595 | PbI2 | data_[Pb6I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6756]
_cell_length_b [4.6756]
_cell_length_c [45.4309]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1205686 | Ba2PrTaO6 | data_[Ba4Pr2Ta2O12]
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
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6147]
_cell_length_b [6.1... |
mp-2221 | Zr2Ag | data_[Zr4Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.2620]
_cell_length_b [3.2620]
_cell_length_c [12.1982]
_cell_angle_alpha [90.0000]
_cel... |
mp-1078492 | Cr3PC | data_[Cr12P4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
P 2.1900 1.0000 0.5500
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.9734]
_cell_length_b [9.8009]
_cell_length_c [7.2582]
_cell_... |
mp-568565 | CrAs | data_[Cr2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.6434]
_cell_length_b [3.6434]
_cell_length_c [5.6340]
_cell_angle_alpha [90.0000]
_ce... |
mp-3186 | TbB2Ru3 | data_[Tb1B2Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
B 2.0400 0.8500 0.4100
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.5151]
_cell_length_b [5.5151]
_cell_length_c [3.0405]
_ce... |
mp-1246385 | K2MnN2 | data_[K8Mn4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mn 1.5500 1.4000 0.8775
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0563]
_cell_length_b [5.5041]
_cell_length_c [12.2011]
_cell_... |
mp-20495 | Na2CO3 | data_[Na4C2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2732]
_cell_length_b [5.2732]
_cell_length_c [6.4016]
_ce... |
mp-8208 | Mg(PtO2)3 | data_[Mg2Pt6O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.1756]
_cell_length_b [10.0226]
_cell_length_c [3.2382]
_ce... |
mp-1222093 | Mg6Sn2Ge | data_[Mg6Sn2Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7315]
_cell_length_b [4.7315]
_cell_length_c [11.5203]
_... |
mp-756203 | Li(WO3)2 | data_[Li4W8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [7.5484]
_cell_length_b [7.5897]
_cell_length_c [7.6144]
_cell_... |
mp-555156 | MnCrF5 | data_[Mn4Cr4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7728]
_cell_length_b [6.4155]
_cell_length_c [7.5195]
_cel... |
mp-1247185 | Mn10CuN8 | data_[Mn20Cu2N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8396]
_cell_length_b [4.0519]
_cell_length_c [6.5664]
_c... |
mp-862361 | Sc2NiOs | data_[Sc8Ni4Os4]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3999]
_cell_length_b [6.3999]
_cell_length_c [6.3999]
_c... |
mp-759835 | CeMgAu | data_[Ce3Mg3Au3]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6845]
_cell_length_b [7.6845]
_cell_length_c [4.2330]
_c... |
mp-1187844 | Zr3Pb | data_[Zr6Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4011]
_cell_length_b [4.4011]
_cell_length_c [9.6686]
_cell_angle_alpha [90.0000]
_cell... |
mp-556609 | KSb(PS3)2 | data_[K2Sb2P4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sb 2.0500 1.4500 0.8300
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.7606]
_cell_length_b [7.8777]
... |
mp-22902 | LiBi | data_[Li1Bi1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3516]
_cell_length_b [3.3516]
_cell_length_c [4.2898]
_cell_angle_alpha [90.0000]
_cell... |
mp-981935 | Li5Mg | data_[Li15Mg3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [5.2724]
_cell_length_b [5.2724]
_cell_length_c [14.9972]
_cell_angle_alpha [90.0000]
_cell_... |
mp-9916 | NbCrSi | data_[Nb3Cr3Si3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.6505]
_cell_length_b [6.6505]
_cell_length_c [3.3223]
_c... |
mp-20589 | MoO3 | data_[Mo4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.4254]
_cell_length_b [3.7610]
_cell_length_c [3.9693]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-571279 | ZrI2 | data_[Zr4I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9266]
_cell_length_b [3.7753]
_cell_length_c [16.3250]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1185421 | LiZnNi2 | data_[Li4Zn4Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7190]
_cell_length_b [5.7190]
_cell_length_c [5.7190]
_c... |
mp-13456 | ZnS | data_[Zn15S15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.8528]
_cell_length_b [3.8528]
_cell_length_c [47.2625]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1311133 | Co4(CuO4)3 | data_[Co8Cu6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2409]
_cell_length_b [7.0989]
_cell_length_c [7.1756]
_ce... |
mp-1183057 | Ac | data_[Ac3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [4.0027]
_cell_length_b [4.0027]
_cell_length_c [9.8039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
mp-637220 | Gd(SiPt)2 | data_[Gd2Si4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2254]
_cell_length_b [4.2254]
_cell_length_c [9.8871]
_... |
mp-13868 | PdF4 | data_[Pd8F32]
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 [Fdd2]
_cell_length_a [9.3828]
_cell_length_b [9.5427]
_cell_length_c [6.0499]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-760334 | V3O5F | data_[V12O20F4]
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 [C2/m]
_cell_length_a [8.9842]
_cell_length_b [6.3859]
_cell_length_c [7.2646]
_cell_a... |
mp-996942 | Ba6In2NF | data_[Ba24In8N4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
In 1.7800 1.5500 0.9400
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2721]
_cell_length_b [11.2... |
mp-1102640 | MnPd2 | data_[Mn4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5387]
_cell_length_b [4.0350]
_cell_length_c [8.2413]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-760975 | Li4TiV3O8 | data_[Li8Ti2V6O16]
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
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.1273]
_cell_length_b [5.8331]... |
mp-1091415 | Ge | data_[Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0807]
_cell_length_b [4.0807]
_cell_length_c [13.2479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
mp-5407 | TiAlCo2 | data_[Ti4Al4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8328]
_cell_length_b [5.8328]
_cell_length_c [5.8328]
_c... |
mp-1187346 | TbHoIn2 | data_[Tb4Ho4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5414]
_cell_length_b [7.5414]
_cell_length_c [7.5414]
_c... |
mp-1222721 | LaTiAlPbO6 | data_[La4Ti4Al4Pb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-1425 | TiCr2 | data_[Ti8Cr16]
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
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [6.8642]
_cell_length_b [6.8642]
_cell_length_c [6.8642]
_cell_angle_alpha [90.0000]
_cell... |
mp-1039411 | Ca3Mg | data_[Ca6Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.7456]
_cell_length_b [12.3027]
_cell_length_c [6.4177]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1185028 | Li2CaAl | data_[Li8Ca4Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9734]
_cell_length_b [6.9734]
_cell_length_c [6.9734]
_c... |
mp-1024052 | Na2ZnSe2 | data_[Na8Zn4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zn 1.6500 1.3500 0.8800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.3779]
_cell_length_b [7.4254]
_cell_length_c [7.2049]
_... |
mp-11227 | Al12W | data_[Al24W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.5885]
_cell_length_b [7.5885]
_cell_length_c [7.5885]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1226394 | Cr2CuSe3Br | data_[Cr12Cu6Se18Br6]
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
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4504]
_cell_length_b [7... |
mp-1078621 | TlInS2 | data_[Tl4In4S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.0087]
_cell_length_b [8.0087]
_cell_length_c [6.7681]
_ce... |
mp-1214833 | AlBrO | data_[Al4Br4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [5.6568]
_cell_length_b [9.1735]
_cell_length_c [5.0368]
_ce... |
mp-16445 | CsSm2CuSe4 | data_[Cs4Sm8Cu4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2334]
_cell_length_b [14... |
mp-864756 | Yb2MgIn | data_[Yb8Mg4In4]
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 [7.7135]
_cell_length_b [7.7135]
_cell_length_c [7.7135]
_c... |
mp-1105397 | MnFe4SiB2 | data_[Mn4Fe16Si4B8]
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
Si 1.9000 1.1000 0.5400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.5305]
_cell_length_b [5.... |
mp-1221672 | MnAl12Fe | data_[Mn2Al24Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.7312]
_cell_length_b [7.5211]
_cell_length_c [6.4963]
_c... |
mp-30801 | NdZn5 | data_[Nd1Zn5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.3951]
_cell_length_b [5.3951]
_cell_length_c [4.2668]
_cell_angle_alpha [90.0000]
_cell... |
mp-1100873 | YAgSe2 | data_[Y2Ag2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7192]
_cell_length_b [5.7234]
_cell_length_c [7.2956]
_cell_a... |
mp-1095601 | YbCo3 | data_[Yb9Co27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9793]
_cell_length_b [4.9793]
_cell_length_c [24.0455]
_cell_angle_alpha [90.0000]
_cell... |
mp-1222514 | Lu(Fe5Si)2 | data_[Lu2Fe20Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7486]
_cell_length_b [8.2413]
_cell_length_c [8.3061]
_c... |
mp-1112144 | Cs2NaPrI6 | data_[Cs8Na4Pr4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Pr 1.1300 1.8500 1.0600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.5850]
_cell_length_b [12... |
mp-22013 | LaTiO3 | data_[La4Ti4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [Pnma]
_cell_length_a [5.6733]
_cell_length_b [7.9383]
_cell_length_c [5.5686]
_cel... |
mp-1018021 | NbCo3 | data_[Nb1Co3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.6542]
_cell_length_b [3.6542]
_cell_length_c [3.6542]
_cell_angle_alpha [90.0000]
_cell_... |
mp-30594 | Cu4Pd | data_[Cu16Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4_2/m]
_cell_length_a [5.9075]
_cell_length_b [5.9075]
_cell_length_c [7.2337]
_cell_angle_alpha [90.0000]
_cel... |
mp-557531 | Pb2S(O2F)2 | data_[Pb8S4O16F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.5521]
_cell_length_b [4.4972]... |
mp-643010 | Cs2H4Pt | data_[Cs4H8Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
H 2.2000 0.2500 0.0000
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [6.2304]
_cell_length_b [6.2304]
_cell_length_c [8.9607]
_... |
mp-556105 | ZnS | data_[Zn30S30]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.8577]
_cell_length_b [3.8577]
_cell_length_c [94.3464]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1220579 | NbNi3P2 | data_[Nb3Ni9P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.9193]
_cell_length_b [3.5895]
_cell_length_c [10.4172]
_cell_... |
mp-676762 | Yb(CeS2)2 | data_[Yb4Ce8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
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 [8.5032]
_cell_length_b [8.5032]
_cell_length_c [8.5688]
_ce... |
mp-1101677 | NaV2O5 | data_[Na2V4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.7128]
_cell_length_b [11.3293]
_cell_length_c [6.5295]
_cell... |
mp-12385 | Ba2YTaO6 | data_[Ba4Y2Ta2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.0255]
_cell_length_b [6.0255... |
mp-1220568 | Nd2CoNiO6 | data_[Nd4Co2Ni2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4283]
_cell_length_b [5.... |
mp-1215352 | Zr5V5Si6 | data_[Zr10V10Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
V 1.6300 1.3500 0.7775
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.1304]
_cell_length_b [13.0029]
_cell_length_c [7.7254]
_... |
mp-567515 | Rb2Hg2PdBr8 | data_[Rb4Hg4Pd2Br16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2553]
_cell_length_b [7... |
mp-1023936 | WSe2 | data_[W1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.3256]
_cell_length_b [3.3256]
_cell_length_c [17.5271]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-18807 | V2Zn2O7 | data_[V4Zn4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0041]
_cell_length_b [8.5185]
_cell_length_c [5.0955]
_cell_... |
mp-1228918 | AlGaNi6 | data_[Al1Ga1Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5693]
_cell_length_b [3.5693]
_cell_length_c [7.1320]
_... |
mp-1102240 | SrF2 | data_[Sr4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.2579]
_cell_length_b [4.0691]
_cell_length_c [4.4261]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1113559 | Rb2CuSbCl6 | data_[Rb8Cu4Sb4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.4140]
_cell_length_b [... |
mp-23085 | Ba2Cu3(ClO2)2 | data_[Ba4Cu6Cl4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cu 1.9000 1.3500 0.8200
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.5600]
_cell_length_b [5.5... |
mp-1206801 | RbEuCl3 | data_[Rb1Eu1Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Eu 1.2000 1.8500 1.1985
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.6558]
_cell_length_b [5.6558]
_cell_length_c [5.6558]
_c... |
mp-1223820 | Hf2Al3Cu | data_[Hf6Al9Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2688]
_cell_length_b [5.2688]
_cell_length_c [12.4643]
_c... |
mp-863672 | ErMgCd2 | data_[Er4Mg4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1869]
_cell_length_b [7.1869]
_cell_length_c [7.1869]
_c... |
mp-1217775 | Ta2Co3Si | data_[Ta4Co6Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.8546]
_cell_length_b [4.8546]
_cell_length_c [7.5643]... |
mp-10371 | Cr2GaN | data_[Cr4Ga2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ga 1.8100 1.3000 0.7600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.9401]
_cell_length_b [2.9401]
_cell_length_c [12.2143]
... |
mp-1094156 | LiMg2 | data_[Li2Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [5.4731]
_cell_length_b [5.4731]
_cell_length_c [4.9824]
_cell_angle_alpha [90.0000]
_cell_... |
mp-22258 | HfSiMo | data_[Hf4Si4Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Si 1.9000 1.1000 0.5400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9484]
_cell_length_b [3.5071]
_cell_length_c [8.2053]
_ce... |
mp-22306 | Eu2CuO4 | data_[Eu4Cu2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9182]
_cell_length_b [3.9182]
_cell_length_c [12.1925]
_c... |
mp-37920 | AgAuS2 | data_[Ag2Au2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pccm]
_cell_length_a [4.8904]
_cell_length_b [5.5799]
_cell_length_c [7.9333]
_cell... |
mp-971948 | Zn3Co | data_[Zn6Co2]
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 [I4/mmm]
_cell_length_a [3.6374]
_cell_length_b [3.6374]
_cell_length_c [7.9085]
_cell_angle_alpha [90.0000]
_cell... |
mp-1213036 | ErGa3Os | data_[Er3Ga9Os3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.4092]
_cell_length_b [6.4092]
_cell_length_c [6.4092]
_c... |
mp-1080449 | SmZnPd | data_[Sm3Zn3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
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 [7.4223]
_cell_length_b [7.4223]
_cell_length_c [3.9483]
_c... |
mp-23162 | ZrCl2 | data_[Zr3Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.4168]
_cell_length_b [3.4168]
_cell_length_c [20.7173]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1225103 | Er2(B2Rh3)3 | data_[Er2B6Rh9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.5963]
_cell_length_b [5.5963]
_cell_length_c [8.5692]
_ce... |
mp-1205898 | Sc6Te2Ru | data_[Sc6Te2Ru1]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7773]
_cell_length_b [7.7773]
_cell_length_c [3.8500]
_c... |
mp-1223082 | La4Cu4SeS3O4 | data_[La4Cu4Se1S3O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a ... |
mp-1518712 | NaEuNbSnO6 | data_[Na4Eu4Nb4Sn4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Eu 1.2000 1.8500 1.1985
Nb 1.6000 1.4500 0.8200
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-1174 | MgSc | data_[Mg1Sc1]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.5967]
_cell_length_b [3.5967]
_cell_length_c [3.5967]
_cell_angle_alpha [90.0000]
_cell_... |
mp-754095 | Li3Cu4F9 | data_[Li3Cu4F9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2246]
_cell_length_b [5.2528]
_cell_length_c [8.0904]
_cell_a... |
mp-28479 | Sc2CCl2 | data_[Sc2C1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
C 2.5500 0.7000 0.3000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.4490]
_cell_length_b [3.4490]
_cell_length_c [10.1000]
_ce... |
mp-1123 | HgS | data_[Hg4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0074]
_cell_length_b [6.0074]
_cell_length_c [6.0074]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1227828 | BaNbNO2 | data_[Ba1Nb1N1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nb 1.6000 1.4500 0.8200
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1690]
_cell_length_b [4.169... |
mp-865443 | LuRh2Pb | data_[Lu4Rh8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6775]
_cell_length_b [6.6775]
_cell_length_c [6.6775]
_c... |
mp-1186501 | Pm3Ga | data_[Pm3Ga1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8323]
_cell_length_b [4.8323]
_cell_length_c [4.8323]
_cell_angle_alpha [90.0000]
_cell_... |
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