Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-20444 | GdIn2Rh | data_[Gd4In8Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3892]
_cell_length_b [10.1584]
_cell_length_c [8.0306]
_c... |
mp-567210 | TbInAu2 | data_[Tb4In4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0173]
_cell_length_b [7.0173]
_cell_length_c [7.0173]
_c... |
mp-998744 | TlGeCl3 | data_[Tl2Ge2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ge 2.0100 1.2500 0.7700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.5900]
_cell_length_b [7.4798]
_cell_length_c [5.3219]
_cell... |
mp-1174519 | Li5Mn3O8 | data_[Li10Mn6O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2583]
_cell_length_b [5.7508]
_cell_length_c [5.1656]
_c... |
mp-861656 | Ti2CrIr | data_[Ti8Cr4Ir4]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1388]
_cell_length_b [6.1388]
_cell_length_c [6.1388]
_c... |
mp-10429 | LaYO3 | data_[La4Y4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Y 1.2200 1.8000 1.0400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.1236]
_cell_length_b [8.6109]
_cell_length_c [5.9159]
_cell_... |
mp-21857 | Cs(WO3)2 | data_[Cs8W16O48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.5257]
_cell_length_b [10.5257]
_cell_length_c [10.5257]
_... |
mp-1228788 | Al4Ni12C | data_[Al4Ni12C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6704]
_cell_length_b [3.6704]
_cell_length_c [14.0485]
_... |
mp-1222780 | LaY | data_[La9Y9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.6868]
_cell_length_b [3.6868]
_cell_length_c [53.1812]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-616501 | InCu6ClO8 | data_[In4Cu24Cl4O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.2247]
_cell_length_b [9.... |
mp-1218572 | Sr4Zr3TiO12 | data_[Sr4Zr3Ti1O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7964]
_cell_length_b [5.825... |
mp-14128 | K2HfF6 | data_[K8Hf4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Hf 1.3000 1.5500 0.8500
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.6469]
_cell_length_b [11.6719]
_cell_length_c [6.9657]
_cell... |
mp-10690 | EuCoGe3 | data_[Eu2Co2Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.3412]
_cell_length_b [4.3412]
_cell_length_c [9.9527]
_ce... |
mp-1183818 | DyLuRu2 | data_[Dy4Lu4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Lu 1.2700 1.7500 1.0010
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7360]
_cell_length_b [6.7360]
_cell_length_c [6.7360]
_c... |
mp-974744 | NdZn2Ag | data_[Nd4Zn8Ag4]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8515]
_cell_length_b [6.8515]
_cell_length_c [6.8515]
_c... |
mp-862844 | PaAl3 | data_[Pa2Al6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.2939]
_cell_length_b [6.2939]
_cell_length_c [4.5814]
_cell_angle_alpha [90.0000]
_ce... |
mp-1109 | Sr5Al9 | data_[Sr15Al27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8662]
_cell_length_b [5.8662]
_cell_length_c [35.7331]
_cell_angle_alpha [90.0000]
_cel... |
mp-4240 | RbCeTe2 | data_[Rb3Ce3Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ce 1.1200 1.8500 1.0800
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7027]
_cell_length_b [4.7027]
_cell_length_c [25.6125]
_c... |
mp-621362 | NdInAu | data_[Nd3In3Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8413]
_cell_length_b [7.8413]
_cell_length_c [4.2216]
_c... |
mp-1071890 | NdInPt4 | data_[Nd4In4Pt16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7191]
_cell_length_b [7.7191]
_cell_length_c [7.7191]
_... |
mp-28283 | CsTiCl3 | data_[Cs2Ti2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ti 1.5400 1.4000 0.8517
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.6564]
_cell_length_b [7.6564]
_cell_length_c [5.6721]... |
mp-1077290 | ErCu4Au | data_[Er4Cu16Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0920]
_cell_length_b [7.0920]
_cell_length_c [7.0920]
_... |
mp-9889 | GaS | data_[Ga6S6]
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 [R-3m]
_cell_length_a [3.6370]
_cell_length_b [3.6370]
_cell_length_c [26.0989]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1213022 | ErRhO3 | data_[Er4Rh4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7680]
_cell_length_b [7.6466]
_cell_length_c [5.2796]
_cel... |
mp-1120781 | Ni3Se4 | data_[Ni24Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [9.9914]
_cell_length_b [9.9914]
_cell_length_c [9.9914]
_cell_angle_alpha [90.0000]
_cel... |
mp-1226226 | CrRe5B2 | data_[Cr2Re10B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Re 1.9000 1.3500 0.7125
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.2122]
_cell_length_b [2.9094]
_cell_length_c [9.3324]
_cel... |
mp-1585 | V3Co | data_[V6Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [4.6521]
_cell_length_b [4.6521]
_cell_length_c [4.6521]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1180659 | KSe3 | data_[K4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.3073]
_cell_length_b [6.4902]
_cell_length_c [8.1201]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1184860 | HoMg2 | data_[Ho8Mg16]
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 [Fd-3m]
_cell_length_a [8.5107]
_cell_length_b [8.5107]
_cell_length_c [8.5107]
_cell_angle_alpha [90.0000]
_cell... |
mp-570428 | Sc3In | data_[Sc3In1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5329]
_cell_length_b [4.5329]
_cell_length_c [4.5329]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1224417 | Ge2Bi2Te5 | data_[Ge6Bi6Te15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3234]
_cell_length_b [4.3234]
_cell_length_c [57.1945]
_c... |
mp-568116 | Lu2(CN2)3 | data_[Lu6C9N18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [6.2347]
_cell_length_b [6.2347]
_cell_length_c [15.0077]
_cell_... |
mp-865529 | Ti2NiIr | data_[Ti8Ni4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ni 1.9100 1.3500 0.7400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1270]
_cell_length_b [6.1270]
_cell_length_c [6.1270]
_c... |
mp-1189241 | GdAs2Au | data_[Gd8As16Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
As 2.1800 1.1500 0.6600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.7296]
_cell_length_b [5.7158]
_cell_length_c [20.5042]
_... |
mp-1104538 | Tm(FeSn)6 | data_[Tm1Fe6Sn6]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4120]
_cell_length_b [5.4120]
_cell_length_c [8.9162]
_... |
mp-756354 | SrSc2O4 | data_[Sr4Sc8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sc 1.3600 1.6000 0.8850
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2101]
_cell_length_b [10.5409]
_cell_length_c [10.6856]
_c... |
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