Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1185837 | Mg5Sc | data_[Mg15Sc3]
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 [R32]
_cell_length_a [5.5021]
_cell_length_b [5.5021]
_cell_length_c [15.9731]
_cell_angle_alpha [90.0000]
_cell_... |
mp-504769 | N2O5 | data_[N4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5367]
_cell_length_b [5.5367]
_cell_length_c [6.7190]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1095294 | 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 [P2_1/c]
_cell_length_a [6.7146]
_cell_length_b [8.0801]
_cell_length_c [5.9429]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-5000 | Tl(CuSe)2 | data_[Tl2Cu4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8691]
_cell_length_b [3.8691]
_cell_length_c [14.4131]
... |
mp-8901 | Rb2VAgS4 | data_[Rb16V8Ag8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
V 1.6300 1.3500 0.7775
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.8507]
_cell_length_b [13.74... |
mp-11113 | TiTeAs | data_[Ti4Te4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5986]
_cell_length_b [5.3034]
_cell_length_c [12.8727]
_c... |
mp-21170 | KPb2 | data_[K4Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.7535]
_cell_length_b [6.7535]
_cell_length_c [11.1369]
_cell_angle_alpha [90.0000]
_cel... |
mp-1009733 | Ca2Si | data_[Ca8Si4]
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 [Fm-3m]
_cell_length_a [7.1688]
_cell_length_b [7.1688]
_cell_length_c [7.1688]
_cell_angle_alpha [90.0000]
_cell_... |
mp-3526 | ErInPt | data_[Er3In3Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6687]
_cell_length_b [7.6687]
_cell_length_c [3.8293]
_c... |
mp-11295 | DyCd3 | data_[Dy4Cd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.1836]
_cell_length_b [10.9262]
_cell_length_c [4.8929]
_cell_angle_alpha [90.0000]
_cell... |
mp-1183612 | CaYbEu2 | data_[Ca4Yb4Eu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Yb 1.1000 1.7500 1.0840
Eu 1.2000 1.8500 1.1985
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7081]
_cell_length_b [8.7081]
_cell_length_c [8.7081]
_c... |
mp-1228481 | Ba2Pr2Co4O11 | data_[Ba2Pr2Co4O11]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9789]
_cell_length_b [7.75... |
mp-1008274 | Co3W | data_[Co3W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.6025]
_cell_length_b [3.6025]
_cell_length_c [3.6025]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1218698 | Sr2La2CrNiO8 | data_[Sr4La4Cr2Ni2O16]
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
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length... |
mp-754809 | MnNbO4 | data_[Mn2Nb2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.8771]
_cell_length_b [3.8771]
_cell_length_c [10.3572]
_ce... |
mp-1289597 | MnBO3 | data_[Mn4B4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3503]
_cell_length_b [4.5875]
_cell_length_c [5.9208]
_cell_... |
mp-1188061 | Zr3Sn | data_[Zr6Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.3218]
_cell_length_b [6.3218]
_cell_length_c [5.2119]
_cell_angle_alpha [90.0000]
_ce... |
mp-609413 | Eu2Ga3Ir | data_[Eu4Ga6Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.6908]
_cell_length_b [5.6908]
_cell_length_c [8.7403]... |
mp-1112987 | CsAuBr3 | data_[Cs1Au1Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Au 2.5400 1.3500 1.0700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.4725]
_cell_length_b [5.4725]
_cell_length_c [5.4725]
_c... |
mp-1206026 | Ba2DyMoO6 | data_[Ba8Dy4Mo4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Dy 1.2200 1.7500 1.1310
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5052]
_cell_length_b [8.5... |
mp-1183054 | Ac2GaSi | data_[Ac8Ga4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ga 1.8100 1.3000 0.7600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7779]
_cell_length_b [7.7779]
_cell_length_c [7.7779]
_c... |
mp-569812 | BaN3Cl | data_[Ba2N6Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6523]
_cell_length_b [4.5840]
_cell_length_c [7.9643]
_ce... |
mp-1226378 | Cr2C | data_[Cr2C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [2.8331]
_cell_length_b [2.8331]
_cell_length_c [4.2588]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-17720 | Sr5Sn3 | data_[Sr20Sn12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.6287]
_cell_length_b [8.6287]
_cell_length_c [16.4923]
_cell_angle_alpha [90.0000]
_c... |
mp-1223353 | KRb(InAu2)4 | data_[K2Rb2In8Au16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [9.1232]
_cell_length_b [9.12... |
mp-1079923 | H3W | data_[H6W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.0665]
_cell_length_b [3.0532]
_cell_length_c [7.5093]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1215379 | Zr4CoNi | data_[Zr8Co2Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [6.4645]
_cell_length_b [6.4645]
_cell_length_c [5.3808]
_ce... |
mp-1009770 | RuN | data_[Ru4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [4.5643]
_cell_length_b [4.5643]
_cell_length_c [4.5643]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-983459 | HfZr | data_[Hf1Zr1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.2158]
_cell_length_b [3.2158]
_cell_length_c [5.1344]
_cell_angle_alpha [90.0000]
_cell_... |
mp-9954 | HfAs | data_[Hf4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.8007]
_cell_length_b [3.8007]
_cell_length_c [12.8052]
_cell_angle_alpha [90.0000]
_c... |
mp-1220167 | Ni11(GeTe2)2 | data_[Ni11Ge2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.7043]
_cell_length_b [3.7043]
_cell_length_c [19.0481]
_... |
mp-1206607 | La2AsI2 | data_[La2As1I2]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4261]
_cell_length_b [4.4261]
_cell_length_c [10.9653]
_ce... |
mp-1224329 | Hf4AlSi | data_[Hf8Al2Si2]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [6.6829]
_cell_length_b [6.6829]
_cell_length_c [5.2485]
_ce... |
mp-1246311 | Sr3AlN3 | data_[Sr6Al2N6]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [7.6614]
_cell_length_b [7.6614]
_cell_length_c [5.3959]
_ce... |
mp-1213810 | CeLuO3 | data_[Ce4Lu4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Lu 1.2700 1.7500 1.0010
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9898]
_cell_length_b [8.3445]
_cell_length_c [5.7703]
_cel... |
mp-1188998 | NpPd3 | data_[Np4Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.8591]
_cell_length_b [5.8591]
_cell_length_c [9.6637]
_cell_angle_alpha [90.0000]
_c... |
mp-5503 | ErTaO4 | data_[Er4Ta4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.0026]
_cell_length_b [10.9977]
_cell_length_c [5.0824]
_ce... |
mp-1518732 | KLaNb4O12 | data_[K2La2Nb8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
La 1.1000 1.9500 1.1720
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.9829]
_cell_length_b [7.9227... |
mp-11247 | Li3Au | data_[Li12Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3052]
_cell_length_b [6.3052]
_cell_length_c [6.3052]
_cell_angle_alpha [90.0000]
_cell... |
mp-1105189 | Cu2AgPS4 | data_[Cu4Ag2P2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.6615]
_cell_length_b [6.321... |
mp-19834 | CeInCu2 | data_[Ce4In4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7465]
_cell_length_b [6.7465]
_cell_length_c [6.7465]
_c... |
mp-19962 | Sn2Pt | data_[Sn8Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5548]
_cell_length_b [6.5548]
_cell_length_c [6.5548]
_cell_angle_alpha [90.0000]
_cell_... |
mp-763434 | Li5MnO3F | data_[Li10Mn2O6F2]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7509]
_cell_length_b [6.7032]
... |
mp-1226532 | CeMnCrSi2 | data_[Ce2Mn2Cr2Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mn 1.5500 1.4000 0.8775
Cr 1.6600 1.4000 0.9400
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0167]
_cell_length_b [4.... |
mp-27480 | Sn2OF2 | data_[Sn8O4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
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 [9.4028]
_cell_length_b [8.1726]
_cell_length_c [5.2280]
_cell_a... |
mp-2086 | PuS | data_[Pu4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6158]
_cell_length_b [5.6158]
_cell_length_c [5.6158]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-27979 | LaI3 | data_[La4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4472]
_cell_length_b [15.6218]
_cell_length_c [10.1632]
_cell_angle_alpha [90.0000]
_cell_... |
mp-6304 | Sr2GaSbO6 | data_[Sr4Ga2Sb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ga 1.8100 1.3000 0.7600
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.5946]
_cell_length_b [5.59... |
mp-551470 | Tl2O | data_[Tl8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [6.2742]
_cell_length_b [3.6353]
_cell_length_c [13.1719]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-9915 | LiBeP | data_[Li2Be2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Be 1.5700 1.0500 0.5900
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.6061]
_cell_length_b [3.6061]
_cell_length_c [6.0082]
_ce... |
mp-856 | SnO2 | data_[Sn2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.8323]
_cell_length_b [4.8323]
_cell_length_c [3.2432]
_cell_angle_alpha [90.0000]
_cell... |
mp-15795 | LiDySe2 | data_[Li3Dy3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Dy 1.2200 1.7500 1.1310
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0689]
_cell_length_b [4.0689]
_cell_length_c [19.5129]
_c... |
mp-1177345 | Li4MnNi3O8 | data_[Li12Mn3Ni9O24]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8383]
_cell_length_b [5.8... |
mp-35701 | Co2RhS4 | data_[Co8Rh4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Rh 2.2800 1.3500 0.7450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.7061]
_cell_length_b [6.7642]
_cell_length_c [9.5315]
_cel... |
mp-777399 | Mn3O5F | data_[Mn6O10F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4455]
_cell_length_b [5.4490]
_cell_length_c [7.0984]
_cell_an... |
mp-989189 | SbBrO | data_[Sb2Br2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8353]
_cell_length_b [3.8353]
_cell_length_c [8.7704]
_ce... |
mp-22209 | Cr3AsN | data_[Cr12As4N4]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.3396]
_cell_length_b [5.3396]
_cell_length_c [7.9168]
_c... |
mp-756096 | Hf2N2O | data_[Hf16N16O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.5494]
_cell_length_b [5.4351]
_cell_length_c [10.3176]
_cell_... |
mp-556878 | BiPPbO5 | data_[Bi2P2Pb2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
P 2.1900 1.0000 0.5500
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9139]
_cell_length_b [7.1014]... |
mp-1766 | TmS | data_[Tm4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.4317]
_cell_length_b [5.4317]
_cell_length_c [5.4317]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1205623 | Ba2LaPaO6 | data_[Ba8La4Pa4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Pa 1.5000 1.8000 1.0400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.0974]
_cell_length_b [9.0... |
mp-1102177 | Tb2Ga8Fe | data_[Tb2Ga8Fe1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2667]
_cell_length_b [4.2667]
_cell_length_c [11.1469]
... |
mp-866167 | GdCdAu2 | data_[Gd4Cd4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0444]
_cell_length_b [7.0444]
_cell_length_c [7.0444]
_c... |
mp-1206080 | ZrZn2Ge | data_[Zr4Zn8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0029]
_cell_length_b [4.0029]
_cell_length_c [17.1459]
... |
mp-28998 | Sn5(BIr3)2 | data_[Sn5B2Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.7146]
_cell_length_b [6.7146]
_cell_length_c [5.6522]
_cel... |
mp-1215586 | Zr2(PdRh)3 | data_[Zr2Pd3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.0124]
_cell_length_b [4.0460]
_cell_length_c [7.9262]
_ce... |
mp-1283088 | Li2VNiO4 | data_[Li8V4Ni4O16]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2997]
_cell_length_b [5.885... |
mp-626981 | Eu(GeRh)2 | data_[Eu2Ge4Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2018]
_cell_length_b [4.2018]
_cell_length_c [10.6911]
... |
mp-1104805 | Dy5Ir2 | data_[Dy20Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.9220]
_cell_length_b [6.4769]
_cell_length_c [7.1921]
_cell_angle_alpha [90.0000]
_cell... |
mp-28861 | CsC8 | data_[Cs1C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9765]
_cell_length_b [4.9765]
_cell_length_c [6.1273]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1173880 | Li2CoO3 | data_[Li8Co4O12]
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 [C2/m]
_cell_length_a [4.9027]
_cell_length_b [8.9323]
_cell_length_c [4.9756]
_cel... |
mp-997498 | Ce4GdO9 | data_[Ce8Gd2O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Gd 1.2000 1.8000 1.0750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8145]
_cell_length_b [19.6212]
_cell_length_c [5.5347]
_ce... |
mp-1221253 | Na3HoTi2Nb2O12 | data_[Na3Ho1Ti2Nb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ho 1.2300 1.7500 1.0410
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a... |
mp-753917 | 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 [C2/c]
_cell_length_a [11.8096]
_cell_length_b [5.5275]
_cell_length_c [7.6969]
_cell... |
mp-1029252 | 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 [3.4966]
_cell_length_b [3.496... |
mp-1223752 | K5BrCl4 | data_[K15Br3Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5661]
_cell_length_b [4.5661]
_cell_length_c [56.0014]
_c... |
mp-1221343 | MnNi7O8 | data_[Mn4Ni28O32]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5249]
_cell_length_b [8.5249]
_cell_length_c [8.5249]
_c... |
mp-1218142 | SrLaScO4 | data_[Sr2La2Sc2O8]
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
Sc 1.3600 1.6000 0.8850
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.0711]
_cell_length_b [4.071... |
mp-759581 | Co6OF11 | data_[Co6O1F11]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7507]
_cell_length_b [5.7057]
_cell_length_c [7.8969]
_cell_an... |
mp-22131 | SmGa4Co | data_[Sm4Ga16Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1292]
_cell_length_b [15.7100]
_cell_length_c [6.5177]
_... |
mp-1217109 | Ti4Al11Zn | data_[Ti4Al11Zn1]
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
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.9029]
_cell_length_b [3.9029]
_cell_length_c [16.6138]
_... |
mp-20672 | Hf3P2 | data_[Hf12P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.2038]
_cell_length_b [3.5821]
_cell_length_c [9.8751]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1017531 | VPt | data_[V2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [4.4063]
_cell_length_b [2.7087]
_cell_length_c [4.8097]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-752776 | VO2F | data_[V4O8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1010]
_cell_length_b [5.3230]
_cell_length_c [5.7450]
_cell_a... |
mp-980942 | YTmMg2 | data_[Y4Tm4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5583]
_cell_length_b [7.5583]
_cell_length_c [7.5583]
_cel... |
mp-1105645 | Ag3SBr | data_[Ag24S8Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.9790]
_cell_length_b [9.7977]
_cell_length_c [9.9171]
_cel... |
mp-22292 | EuCuSb | data_[Eu2Cu2Sb2]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5281]
_cell_length_b [4.5281]
_cell_length_c [8.6137]... |
mp-27536 | UBrO2 | data_[U4Br4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1487]
_cell_length_b [21.2501]
_cell_length_c [4.0100]
_cell_... |
mp-1215570 | Zr3(Sn2Sb)2 | data_[Zr6Sn8Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sn 1.9600 1.4500 0.8300
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.5877]
_cell_length_b [9.6691]
_cell_length_c [7.6950]
_cell... |
mp-1112965 | Cs3ScF6 | data_[Cs12Sc4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sc 1.3600 1.6000 0.8850
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.7758]
_cell_length_b [9.7758]
_cell_length_c [9.7758]
_c... |
mp-672272 | Sm2Pd2Pb | data_[Sm4Pd4Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
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 [7.9615]
_cell_length_b [7.9615]
_cell_length_c [3.7815]
_... |
mp-1105029 | Er3Ga9Pt2 | data_[Er6Ga18Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2425]
_cell_length_b [9.7560]
_cell_length_c [12.3567]
_... |
mp-865876 | Ti2TcOs | data_[Ti8Tc4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Tc 1.9000 1.3500 0.7417
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2020]
_cell_length_b [6.2020]
_cell_length_c [6.2020]
_c... |
mp-978519 | Sm2AlCd | data_[Sm8Al4Cd4]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5199]
_cell_length_b [7.5199]
_cell_length_c [7.5199]
_c... |
mp-1215391 | ZrMn6(GaSn2)2 | data_[Zr1Mn6Ga2Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Mn 1.5500 1.4000 0.8775
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.3597]
_cell_length_b [5... |
mp-614456 | He | data_[He4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
He 4.16 1.4 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [3.6981]
_cell_length_b [3.6981]
_cell_length_c [3.6981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamm... |
mp-1103568 | Tm(Fe2Ge)2 | data_[Tm2Fe8Ge4]
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 [P4_2/mnm]
_cell_length_a [7.1478]
_cell_length_b [7.1478]
_cell_length_c [3.8298]... |
mp-1025013 | GdCu4Pd | data_[Gd4Cu16Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1113]
_cell_length_b [7.1113]
_cell_length_c [7.1113]
_... |
mp-1185522 | Lu3Tl | data_[Lu6Tl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.7531]
_cell_length_b [6.7531]
_cell_length_c [5.5249]
_cell_angle_alpha [90.0000]
_ce... |
mp-1185094 | LaPmTl2 | data_[La4Pm4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pm 1.1300 1.8500 1.1100
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8951]
_cell_length_b [7.8951]
_cell_length_c [7.8951]
_c... |
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