Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-866158 | YLuMg2 | data_[Y4Lu4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Lu 1.2700 1.7500 1.0010
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5429]
_cell_length_b [7.5429]
_cell_length_c [7.5429]
_cel... |
mp-1101772 | PrNi4B | data_[Pr2Ni8B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0899]
_cell_length_b [5.0899]
_cell_length_c [7.0230]
_ce... |
mp-754691 | V6O7F5 | data_[V6O7F5]
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 [P1]
_cell_length_a [4.6628]
_cell_length_b [5.6155]
_cell_length_c [7.8008]
_cell_angle... |
mp-13378 | TbZnRh | data_[Tb4Zn4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Zn 1.6500 1.3500 0.8800
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9626]
_cell_length_b [4.0647]
_cell_length_c [8.1555]
_ce... |
mp-1112609 | Cs2InCuCl6 | data_[Cs8In4Cu4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.3457]
_cell_length_b [... |
mp-753920 | Tm2SeO2 | data_[Tm2Se1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.7837]
_cell_length_b [3.7837]
_cell_length_c [6.7535]
_cel... |
mp-1226338 | CrNi3 | data_[Cr3Ni9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.5013]
_cell_length_b [2.5013]
_cell_length_c [24.5554]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1079298 | NaTl | data_[Na4Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.3040]
_cell_length_b [5.3040]
_cell_length_c [10.3302]
_cell_angle_alpha [90.0000]
_c... |
mp-1039147 | CaZn | data_[Ca1Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7035]
_cell_length_b [3.7035]
_cell_length_c [3.7035]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1114710 | Rb2TlCrF6 | data_[Rb8Tl4Cr4F24]
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
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.1753]
_cell_length_b [9.1... |
mp-18888 | Sr2CdWO6 | data_[Sr4Cd2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.8289]
_cell_length_b [8.3352... |
mp-1207146 | La2CdNi2 | data_[La4Cd2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cd 1.6900 1.5500 1.0900
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.0461]
_cell_length_b [14.8637]
_cell_length_c [3.8681]
_c... |
mp-1027524 | Mo3W(SeS)4 | data_[Mo3W1Se4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2528]
_cell_length_b [3.2528]... |
mp-1205568 | Sr2LiOsO6 | data_[Sr8Li4Os4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9315]
_cell_length_b [7.9... |
mp-8226 | ThNF | data_[Th6N6F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0164]
_cell_length_b [4.0164]
_cell_length_c [20.4990]
_cell_... |
mp-2226 | DyPd | data_[Dy1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.5123]
_cell_length_b [3.5123]
_cell_length_c [3.5123]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1213704 | Cs3LiPb4 | data_[Cs12Li4Pb16]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.3774]
_cell_length_b [17.4475]
_cell_length_c [10.9027]... |
mp-1064427 | GdBr | data_[Gd2Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8265]
_cell_length_b [3.8265]
_cell_length_c [10.1216]
_cell_angle_alpha [90.0000]
_cell... |
mp-4828 | HfNi2Sn | data_[Hf4Ni8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2723]
_cell_length_b [6.2723]
_cell_length_c [6.2723]
_c... |
mp-780712 | CeCrO3 | data_[Ce4Cr4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7198]
_cell_length_b [7.8083]
_cell_length_c [5.4862]
_cel... |
mp-1189689 | Sc4Si6Ir7 | data_[Sc8Si12Ir14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.0725]
_cell_length_b [8.0725]
_cell_length_c [8.0725]
... |
mp-1563 | CaSi | data_[Ca4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5600]
_cell_length_b [10.7053]
_cell_length_c [3.9015]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1568567 | CaLaFeBiO6 | data_[Ca2La2Fe2Bi2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
La 1.1000 1.9500 1.1720
Fe 1.8300 1.4000 0.8525
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a... |
mp-1104518 | In(MoSe)3 | data_[In2Mo6Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.7507]
_cell_length_b [9.7507]
_cell_length_c [4.5161]
_... |
mp-1185007 | LaAlAg2 | data_[La4Al4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1076]
_cell_length_b [7.1076]
_cell_length_c [7.1076]
_c... |
mp-504703 | EuFeO3 | data_[Eu4Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5879]
_cell_length_b [7.7963]
_cell_length_c [5.4983]
_cel... |
mp-1184907 | K3Cd | data_[K6Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.7078]
_cell_length_b [6.7078]
_cell_length_c [9.8567]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1176720 | LiFe5(OF2)4 | data_[Li2Fe10O8F16]
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
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.4735]
_cell_length_b [6.838... |
mp-1028590 | Te2W2SeS | data_[Te4W4Se2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3972]
_cell_length_b [3.3972]... |
mp-1208100 | Tm3Fe2Ge3 | data_[Tm12Fe8Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1114]
_cell_length_b [10.4969]
_cell_length_c [13.5857]... |
mp-862973 | PmZn2Ag | data_[Pm4Zn8Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8277]
_cell_length_b [6.8277]
_cell_length_c [6.8277]
_c... |
mp-1173121 | TbCuSe2 | data_[Tb1Cu1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1027]
_cell_length_b [4.1027]
_cell_length_c [6.4399]
_ce... |
mp-1247276 | Mg2TiMn3S8 | data_[Mg6Ti3Mn9S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
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 [7.3270]
_cell_length_b [7.32... |
mp-1183675 | CdPd3 | data_[Cd2Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.7254]
_cell_length_b [5.7254]
_cell_length_c [4.6610]
_cell_angle_alpha [90.0000]
_ce... |
mp-867963 | Pu(SiPt)2 | data_[Pu2Si4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
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 [4.2022]
_cell_length_b [4.2022]
_cell_length_c [9.8639]
_... |
mp-1226846 | Cd5Te4S | data_[Cd15Te12S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.5967]
_cell_length_b [4.5967]
_cell_length_c [56.1968]
_ce... |
mp-1113536 | Cs2TlAuCl6 | data_[Cs8Tl4Au4Cl24]
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
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.8004]
_cell_length_b [... |
mp-9223 | ScGeRu | data_[Sc3Ge3Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.0016]
_cell_length_b [7.0016]
_cell_length_c [3.4841]
_c... |
mp-1184866 | HoMg5 | data_[Ho2Mg10]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9043]
_cell_length_b [3.6865]
_cell_length_c [7.0247]
_cell_angle_alpha [90.0000]
_cell... |
mvc-6720 | Ca(SbO2)2 | data_[Ca4Sb8O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.4396]
_cell_length_b [7.4396]
_cell_length_c [8.7622]
_cell... |
mp-1217094 | Ti3Nb3Sn2 | data_[Ti9Nb9Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [7.4944]
_cell_length_b [7.4944]
_cell_length_c [9.1599]
_cel... |
mp-865554 | Mn2VGe | data_[Mn8V4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
V 1.6300 1.3500 0.7775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7663]
_cell_length_b [5.7663]
_cell_length_c [5.7663]
_cel... |
mp-21164 | SrGePt | data_[Sr4Ge4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.6921]
_cell_length_b [6.6921]
_cell_length_c [6.6921]
_c... |
mp-23197 | TlI | data_[Tl1I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2876]
_cell_length_b [4.2876]
_cell_length_c [4.2876]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1186414 | PaHgTe2 | data_[Pa4Hg4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6496]
_cell_length_b [7.6496]
_cell_length_c [7.6496]
_c... |
mp-22335 | GdB2Ru3 | data_[Gd1B2Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
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 [5.5309]
_cell_length_b [5.5309]
_cell_length_c [3.0327]
_ce... |
mp-1269 | SmS | data_[Sm4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6707]
_cell_length_b [5.6707]
_cell_length_c [5.6707]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1066989 | H2 | data_[H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [2.6244]
_cell_length_b [4.5059]
_cell_length_c [2.6090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_ga... |
mp-23870 | NaH | data_[Na4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.8271]
_cell_length_b [4.8271]
_cell_length_c [4.8271]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-5671 | Sr(CoP)2 | data_[Sr2Co4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7893]
_cell_length_b [3.7893]
_cell_length_c [11.6043]
_c... |
mp-1079629 | Mg(BC)2 | data_[Mg2B4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [4.6284]
_cell_length_b [7.2534]
_cell_length_c [2.7753]
_cell_a... |
mp-755537 | Y2HfO5 | data_[Y8Hf4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Hf 1.3000 1.5500 0.8500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1218]
_cell_length_b [11.2622]
_cell_length_c [10.9103]
_cel... |
mp-867361 | CeTlAu2 | data_[Ce4Tl4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tl 1.6200 1.9000 1.3325
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2299]
_cell_length_b [7.2299]
_cell_length_c [7.2299]
_c... |
mp-768537 | Cs3TlO3 | data_[Cs12Tl4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1564]
_cell_length_b [12.6991]
_cell_length_c [7.5344]
_c... |
mp-1104639 | YbGa6 | data_[Yb2Ga12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/nbm]
_cell_length_a [6.0231]
_cell_length_b [6.0231]
_cell_length_c [7.6787]
_cell_angle_alpha [90.0000]
_cel... |
mp-1226007 | CoIr | data_[Co1Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.6746]
_cell_length_b [2.6746]
_cell_length_c [4.1025]
_cell_angle_alpha [90.0000]
_cell_... |
mp-583 | CoAs | data_[Co4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.3157]
_cell_length_b [3.4690]
_cell_length_c [5.8250]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-25294 | VP2O7 | data_[V2P4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [4.8713]
_cell_length_b [8.0162]
_cell_length_c [6.9910]
_cell_an... |
mp-1068422 | EuGe3Pd | data_[Eu2Ge6Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.4678]
_cell_length_b [4.4678]
_cell_length_c [10.3689]
_c... |
mp-20070 | GdTiGe | data_[Gd4Ti4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ti 1.5400 1.4000 0.8517
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0770]
_cell_length_b [4.0770]
_cell_length_c [15.7074]
... |
mp-1189145 | Dy2Si4Mo3 | data_[Dy4Si8Mo6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Si 1.9000 1.1000 0.5400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8612]
_cell_length_b [6.9225]
_cell_length_c [6.7478]
_... |
mp-20012 | InSb | data_[In4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6332]
_cell_length_b [6.6332]
_cell_length_c [6.6332]
_cell_angle_alpha [90.0000]
_cell_... |
mp-19212 | Rb2MoO4 | data_[Rb8Mo4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0772]
_cell_length_b [6.4274]
_cell_length_c [8.0392]
_ce... |
mp-7566 | InPO4 | data_[In4P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.3822]
_cell_length_b [8.1607]
_cell_length_c [6.9284]
_cell_... |
mp-676599 | Cu8NO11 | data_[Cu32N4O44]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [9.0614]
_cell_length_b [9.4440]
_cell_length_c [10.1872]
_cel... |
mp-862889 | PmCdAg2 | data_[Pm4Cd4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1298]
_cell_length_b [7.1298]
_cell_length_c [7.1298]
_c... |
mp-547125 | TbBi2ClO4 | data_[Tb1Bi2Cl1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
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 [3.9059]
_cell_length_b [3.9... |
mp-1441 | CsO2 | data_[Cs2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4617]
_cell_length_b [4.4617]
_cell_length_c [7.3715]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-8923 | Sr2LiFe2N3 | data_[Sr8Li4Fe8N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
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 [C2/c]
_cell_length_a [6.5391]
_cell_length_b [11.2... |
mp-1095584 | PRuS | data_[P4Ru4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7725]
_cell_length_b [5.7976]
_cell_length_c [5.8409]
_cell... |
mp-1106070 | Dy2Co17 | data_[Dy6Co51]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3041]
_cell_length_b [8.3041]
_cell_length_c [12.1369]
_cell_angle_alpha [90.0000]
_cell... |
mp-1894 | WC | data_[W1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.9283]
_cell_length_b [2.9283]
_cell_length_c [2.8529]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-19971 | ZnCo2Ge | data_[Zn4Co8Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7433]
_cell_length_b [5.7433]
_cell_length_c [5.7433]
_c... |
mp-973149 | Mn3Al | data_[Mn12Al4]
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
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7161]
_cell_length_b [5.7161]
_cell_length_c [5.7161]
_cell_angle_alpha [90.0000]
_cell... |
mp-985582 | Li6PS5I | data_[Li24P4S20I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.3530]
_cell_length_b [10.35... |
mp-1027624 | MoWSeS3 | data_[Mo2W2Se2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2219]
_cell_length_b [3.2219]... |
mp-1224427 | HfTaFe4 | data_[Hf2Ta2Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ta 1.5000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.8653]
_cell_length_b [4.8653]
_cell_length_c [7.9460]
_c... |
mp-985554 | Ac3Nd | data_[Ac6Nd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.8851]
_cell_length_b [7.8851]
_cell_length_c [6.3513]
_cell_angle_alpha [90.0000]
_ce... |
mp-1094629 | MgGa2 | data_[Mg2Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [5.2507]
_cell_length_b [5.2507]
_cell_length_c [4.8734]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1184822 | HoZrRu2 | data_[Ho4Zr4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Zr 1.3300 1.5500 0.8600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6613]
_cell_length_b [6.6613]
_cell_length_c [6.6613]
_c... |
mp-1187884 | Y3In | data_[Y6In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.9028]
_cell_length_b [6.9028]
_cell_length_c [5.6488]
_cell_angle_alpha [90.0000]
_cell... |
mp-1518847 | Sr2HfNbO6 | data_[Sr8Hf4Nb4O24]
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
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2329]
_cell_length_b [8.2... |
mp-30952 | GaCl3 | data_[Ga4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5016]
_cell_length_b [7.4860]
_cell_length_c [7.4460]
_cell_angle_alpha [90.0000]
_cell... |
mp-1105323 | LiNdTi2O6 | data_[Li2Nd2Ti4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nd 1.1400 1.8500 1.2765
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4446]
_cell_length_b [7.7162... |
mp-22984 | NaBiO2 | data_[Na4Bi4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.3962]
_cell_length_b [7.3230]
_cell_length_c [5.9686]
_cell... |
mp-1206525 | SrAsAu | data_[Sr2As2Au2]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5420]
_cell_length_b [4.5420]
_cell_length_c [8.6147]... |
mp-1224981 | FeCuPt2 | data_[Fe1Cu1Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.7109]
_cell_length_b [2.7109]
_cell_length_c [7.3344]
_... |
mp-1221437 | Na(Nb3Te4)2 | data_[Na1Nb6Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nb 1.6000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [10.7470]
_cell_length_b [10.7470]
_cell_length_c [3.7062]
_c... |
mp-30352 | NaAg2 | data_[Na8Ag16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.0511]
_cell_length_b [8.0511]
_cell_length_c [8.0511]
_cell_angle_alpha [90.0000]
_cell... |
mp-1212442 | Hf5Si3N | data_[Hf10Si6N2]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [7.8295]
_cell_length_b [7.8295]
_cell_length_c [5.5573]
... |
mp-573267 | YbNiGe2 | data_[Yb8Ni8Ge16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2396]
_cell_length_b [8.5963]
_cell_length_c [15.5850]
_... |
mp-568959 | La4As3 | data_[La16As12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.2196]
_cell_length_b [9.2196]
_cell_length_c [9.2196]
_cell_angle_alpha [90.0000]
_cel... |
mp-1223104 | La3Nd(GaO3)4 | data_[La3Nd1Ga4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nd 1.1400 1.8500 1.2765
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5560]
_cell_length_b [7.8603... |
mp-1180208 | NF2 | data_[N4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.3795]
_cell_length_b [8.0192]
_cell_length_c [8.4418]
_cell_angle_alpha [81.4918]
_cell_angle_b... |
mp-1215995 | YInPdAu | data_[Y4In4Pd4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9173]
_cell_length_b [6.91... |
mp-1223463 | KCNO | data_[K4C4N4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.1574]
_cell_length_b [6.1459]
_ce... |
mp-559299 | VPO5 | data_[V2P2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/n]
_cell_length_a [6.2465]
_cell_length_b [6.2465]
_cell_length_c [4.5641]
_cell_an... |
mp-1516726 | BaSrDyBiO6 | data_[Ba4Sr4Dy4Bi4O24]
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
Dy 1.2200 1.7500 1.1310
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-1189420 | TbGePd | data_[Tb12Ge12Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.4265]
_cell_length_b [21.1751]
_cell_length_c [7.6466]... |
mp-1219231 | Sm2Fe4Co13 | data_[Sm6Fe12Co39]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3793]
_cell_length_b [8.3793]
_cell_length_c [12.3211]
_... |
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