Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-554311 | RbCrF6 | data_[Rb3Cr3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.7350]
_cell_length_b [7.7350]
_cell_length_c [7.7232]
_cell... |
mp-13230 | K3YF6 | data_[K6Y2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4070]
_cell_length_b [6.6546]
_cell_length_c [11.1059]
_cell... |
mp-1104694 | Yb(FeGe)6 | data_[Yb1Fe6Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0442]
_cell_length_b [5.0442]
_cell_length_c [8.0515]
_... |
mp-568404 | Li9Al4 | data_[Li18Al8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6901]
_cell_length_b [4.4710]
_cell_length_c [5.3684]
_cell_angle_alpha [90.0000]
_cell... |
mp-1228698 | Al4InAgS8 | data_[Al12In3Ag3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.2782]
_cell_length_b [7.27... |
mp-29873 | Rb2CdCl4 | data_[Rb4Cd2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cd 1.6900 1.5500 1.0900
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.3136]
_cell_length_b [5.3136]
_cell_length_c [16.3930]
... |
mp-4284 | Ho2CdSe4 | data_[Ho16Cd8Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.7749]
_cell_length_b [11.7749]
_cell_length_c [11.774... |
mp-1178946 | TmWC2 | data_[Tm4W4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
W 2.3600 1.3500 0.7667
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6815]
_cell_length_b [3.3344]
_cell_length_c [10.7500]
_cell_... |
mp-1518527 | Ba2EuWO6 | data_[Ba8Eu4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Eu 1.2000 1.8500 1.1985
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6633]
_cell_length_b [8.663... |
mp-3249 | La4Ti3O12 | data_[La12Ti9O36]
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 [R-3]
_cell_length_a [5.6022]
_cell_length_b [5.6022]
_cell_length_c [26.3701]
_ce... |
mp-1206877 | Lu3PbC | data_[Lu3Pb1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Pb 2.3300 1.8000 1.1225
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7869]
_cell_length_b [4.7869]
_cell_length_c [4.7869]
_cel... |
mp-1178141 | KDyO2 | data_[K3Dy3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Dy 1.2200 1.7500 1.1310
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4814]
_cell_length_b [3.4814]
_cell_length_c [18.7991]
_cell_... |
mp-5795 | CaMg2N2 | data_[Ca1Mg2N2]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.5596]
_cell_length_b [3.5596]
_cell_length_c [6.1202]
_cel... |
mp-20507 | PbSO3 | data_[Pb4S4O12]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0540]
_cell_length_b [5.5703]
_cell_length_c [6.9071]
_cell_... |
mp-559765 | KHg2S(ClO)3 | data_[K4Hg8S4Cl12O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Hg 2.0000 1.5000 1.2450
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_... |
mp-1105171 | Ce5(FeB3)2 | data_[Ce15Fe6B18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3140]
_cell_length_b [5.3140]
_cell_length_c [23.8745]
_c... |
mp-1094205 | Mg5Sn | data_[Mg10Sn2]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0548]
_cell_length_b [3.3646]
_cell_length_c [16.1490]
_cell_angle_alpha [90.0000]
_cell... |
mp-998607 | RbTlF3 | data_[Rb2Tl4F12]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7387]
_cell_length_b [6.6947]
_cell_length_c [4.7468]
_cell_... |
mp-685149 | K5Sb4 | data_[K5Sb4]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5552]
_cell_length_b [6.8870]
_cell_length_c [8.4765]
_cell_angle_alpha [91.5293]
_cell_angl... |
mp-867342 | Li3Ge | data_[Li12Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2275]
_cell_length_b [6.2275]
_cell_length_c [6.2275]
_cell_angle_alpha [90.0000]
_cell... |
mp-1207239 | Pr2GaNi2 | data_[Pr4Ga2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2879]
_cell_length_b [5.4843]
_cell_length_c [8.6192]
_ce... |
mp-20481 | MnSnPd2 | data_[Mn4Sn4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4319]
_cell_length_b [6.4319]
_cell_length_c [6.4319]
_c... |
mp-1217567 | TbCuGe | data_[Tb1Cu1Ge1]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.2426]
_cell_length_b [4.2426]
_cell_length_c [3.7444]
_c... |
mp-7030 | LaSiNi | data_[La4Si4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [4.1817]
_cell_length_b [4.1817]
_cell_length_c [14.0197]
... |
mp-763362 | LiMnF3 | data_[Li4Mn4F12]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [8.4434]
_cell_length_b [5.4141]
_cell_length_c [5.2590]
_c... |
mp-29419 | Hf(Te2Cl3)2 | data_[Hf1Te4Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Te 2.1000 1.4000 1.2933
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3405]
_cell_length_b [7.3883]
_cell_length_c [7.8723]
_cel... |
mp-1025599 | W3(Se2S)2 | data_[W3Se4S2]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2752]
_cell_length_b [3.2752]
_cell_length_c [30.2680]
_cell_... |
mp-22145 | Sm3(Ge2Ru)2 | data_[Sm6Ge8Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9822]
_cell_length_b [4.3706]
_cell_length_c [8.3107]
_c... |
mp-1210529 | Na3ErBr6 | data_[Na6Er2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Er 1.2400 1.7500 1.0300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4000]
_cell_length_b [7.7167]
_cell_length_c [13.1183]... |
mp-1183269 | AsN(OF3)2 | data_[As2N2O4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
N 3.0400 0.6500 0.6300
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 [6.3573]
_cell_length_b [7.3597]
... |
mp-1101421 | SrNiO3 | data_[Sr4Ni4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5157]
_cell_length_b [7.7984]
_cell_length_c [5.4910]
_cel... |
mp-1271352 | CoF3 | data_[Co8F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.6482]
_cell_length_b [15.3771]
_cell_length_c [3.8739]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1105130 | PrInO3 | data_[Pr4In4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9999]
_cell_length_b [8.3251]
_cell_length_c [5.7134]
_cel... |
mvc-2938 | CaNiF5 | data_[Ca4Ni4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9432]
_cell_length_b [6.3415]
_cell_length_c [7.7357]
_cel... |
mp-1113346 | CsRb2TiF6 | data_[Cs4Rb8Ti4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
Ti 1.5400 1.4000 0.8517
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.5863]
_cell_length_b [9.5... |
mp-1306224 | Mn2O3 | data_[Mn8O12]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4548]
_cell_length_b [5.4798]
_cell_length_c [5.4453]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-30852 | TiPt8 | data_[Ti2Pt16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.4289]
_cell_length_b [8.4289]
_cell_length_c [3.9403]
_cell_angle_alpha [90.0000]
_cel... |
mp-756376 | Li3Nb4ZnO12 | data_[Li3Nb4Zn1O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2429]
_cell_length_b [5.6084... |
mp-1078542 | GdZnAsO | data_[Gd2Zn2As2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0023]
_cell_length_b [4.0... |
mp-1188762 | TaNiP2 | data_[Ta4Ni4P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.4171]
_cell_length_b [3.3478]
_cell_length_c [12.1504]
_cel... |
mp-1217358 | Te3Au | data_[Te3Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1317]
_cell_length_b [3.1317]
_cell_length_c [12.6845]
_cell_angle_alpha [90.0000]
_cel... |
mp-1424 | GePd | data_[Ge4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.8484]
_cell_length_b [3.6086]
_cell_length_c [6.3148]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-3615 | Nd(BO2)3 | data_[Nd4B12O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
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 [9.9112]
_cell_length_b [8.1749]
_cell_length_c [6.4384]
_cell... |
mp-20562 | CeGeAu | data_[Ce4Ge4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3755]
_cell_length_b [4.5253]
_cell_length_c [7.9465]
_ce... |
mp-1229192 | Cs2BaCl4 | data_[Cs8Ba4Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ba 0.8900 2.1500 1.4900
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.8967]
_cell_length_b [9.8967]
_cell_length_c [10.2930]
... |
mp-1180711 | KO2 | data_[K4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5135]
_cell_length_b [5.6731]
_cell_length_c [8.2232]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-27043 | LiCoP2O7 | data_[Li2Co2P4O14]
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
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.5188]
_cell_length_b [8.1981]
... |
mp-1220013 | Ni4As3S5 | data_[Ni12As9S15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.0814]
_cell_length_b [8.0814]
_cell_length_c [9.7206]
_cell... |
mp-1222756 | Li(TmGe2)2 | data_[Li1Tm2Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.0489]
_cell_length_b [3.9865]
_cell_length_c [8.6452]
_cell... |
mp-29816 | Ag2HgO2 | data_[Ag8Hg4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_32_12]
_cell_length_a [6.3890]
_cell_length_b [6.3890]
_cell_length_c [8.4769]
_... |
mp-850191 | NaLiFe2(SiO3)4 | data_[Na2Li2Fe4Si8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a... |
mp-756951 | LiSbO3 | data_[Li4Sb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.1811]
_cell_length_b [9.4929]
_cell_length_c [5.2145]
_cel... |
mp-1219103 | SmAlGa | data_[Sm1Al1Ga1]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.4158]
_cell_length_b [4.4158]
_cell_length_c [3.8905]
_c... |
mp-1104827 | Pr3GaCo3 | data_[Pr12Ga4Co12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1506]
_cell_length_b [10.3927]
_cell_length_c [13.2773]... |
mp-1207678 | U3Bi4Rh3 | data_[U12Bi16Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Bi 2.0200 1.6000 1.0350
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.8046]
_cell_length_b [9.8046]
_cell_length_c [9.8046]
_... |
mp-1189223 | Lu5Ga3 | data_[Lu10Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.4499]
_cell_length_b [8.4499]
_cell_length_c [6.3226]
_cell_angle_alpha [90.0000]
_c... |
mp-37605 | LiNdSe2 | data_[Li4Nd4Se8]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.8782]
_cell_length_b [5.8782]
_cell_length_c [11.8194... |
mp-474 | ErFe2 | data_[Er8Fe16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.2169]
_cell_length_b [7.2169]
_cell_length_c [7.2169]
_cell_angle_alpha [90.0000]
_cell... |
mp-861662 | CaZrRh2 | data_[Ca4Zr4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zr 1.3300 1.5500 0.8600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6865]
_cell_length_b [6.6865]
_cell_length_c [6.6865]
_c... |
mp-1221328 | MnNiSnRh | data_[Mn4Ni4Sn4Rh4]
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
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1976]
_cell_length_b [6.... |
mp-20569 | MnSnO3 | data_[Mn6Sn6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.4369]
_cell_length_b [5.4369]
_cell_length_c [14.7130]
_cel... |
mp-31454 | TaSbRu | data_[Ta4Sb4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Sb 2.0500 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1935]
_cell_length_b [6.1935]
_cell_length_c [6.1935]
_c... |
mp-1215634 | Zr2Te3 | data_[Zr12Te18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.9924]
_cell_length_b [6.9924]
_cell_length_c [20.3680]
_cell_angle_alpha [90.0000]
_cell... |
mp-866001 | AlVRu2 | data_[Al4V4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
V 1.6300 1.3500 0.7775
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0086]
_cell_length_b [6.0086]
_cell_length_c [6.0086]
_cel... |
mp-1094241 | MgSn2 | data_[Mg2Sn4]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.4007]
_cell_length_b [3.4007]
_cell_length_c [15.3891]
_cell_angle_alpha [90.0000]
_c... |
mp-1210350 | Na3TbV2O8 | data_[Na3Tb1V2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tb 1.1000 1.7500 0.9815
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9209]
_cell_length_b [5.9209... |
mp-1070456 | Be3N2 | data_[Be9N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.8477]
_cell_length_b [2.8477]
_cell_length_c [14.6328]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1221410 | Na(VSe2)2 | data_[Na3V6Se12]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.6244]
_cell_length_b [3.6244]
_cell_length_c [43.2861]
_cel... |
mp-16249 | Th(GeAu)2 | data_[Th2Ge4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4426]
_cell_length_b [4.4426]
_cell_length_c [10.6089]
... |
mp-1025926 | Te2Mo2WS4 | data_[Te2Mo2W1S4]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3000]
_cell_length_b [3.3000]... |
mp-560354 | SbCl(OF3)2 | data_[Sb2Cl2O4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.2113]
_cell_length_b [7.6524... |
mp-1071732 | EuCu2 | data_[Eu4Cu8]
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
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.4028]
_cell_length_b [7.1932]
_cell_length_c [7.4648]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1222953 | LaAs2Au | data_[La8As16Au8]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [5.9207]
_cell_length_b [20.9919]
_cell_length_c [5.8767]
_... |
mp-756149 | Li3Nb4FeO12 | data_[Li3Nb4Fe1O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2507]
_cell_length_b [5.6405... |
mp-2593 | AlNi3 | data_[Al1Ni3]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.5611]
_cell_length_b [3.5611]
_cell_length_c [3.5611]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1184761 | Ir3Os | data_[Ir3Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8697]
_cell_length_b [3.8697]
_cell_length_c [3.8697]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1215317 | ZrAlOs | data_[Zr8Al8Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Al 1.6100 1.2500 0.6750
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.4365]
_cell_length_b [5.3549]
_cell_length_c [9.1425]
_ce... |
mp-20786 | Dy3In | data_[Dy3In1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8427]
_cell_length_b [4.8427]
_cell_length_c [4.8427]
_cell_angle_alpha [90.0000]
_cell_... |
mp-984551 | AcTlHg2 | data_[Ac4Tl4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7698]
_cell_length_b [7.7698]
_cell_length_c [7.7698]
_c... |
mp-504928 | NaCu3Te2 | data_[Na3Cu9Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2991]
_cell_length_b [4.2991]
_cell_length_c [23.8344]
_ce... |
mp-1007881 | FeB | data_[Fe4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.8919]
_cell_length_b [7.5072]
_cell_length_c [2.9581]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-616471 | Ba2Eu2Ti2Cu2O11 | data_[Ba2Eu2Ti2Cu2O11]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Eu 1.2000 1.8500 1.1985
Ti 1.5400 1.4000 0.8517
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_leng... |
mp-753345 | Ba2CaI6 | data_[Ba2Ca1I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [8.5088]
_cell_length_b [8.5088]
_cell_length_c [7.1967]
_cel... |
mp-1229046 | AlIn(CuSe2)2 | data_[Al2In2Cu4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.7614]
_cell_length_b [5.76... |
mp-1224737 | Fe2CuNiPt4 | data_[Fe2Cu1Ni1Pt4]
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
Ni 1.9100 1.3500 0.7400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.7199]
_cell_length_b [2.7... |
mp-1078295 | NaNbO3 | data_[Na6Nb6O18]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.4252]
_cell_length_b [5.4252]
_cell_length_c [15.9233]
_cel... |
mp-1205413 | RbTa(CuTe2)2 | data_[Rb4Ta4Cu8Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ta 1.5000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [8.4396]
_cell_length_b [20... |
mp-756228 | SrLaCl5 | data_[Sr2La2Cl10]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5432]
_cell_length_b [7.0393]
_cell_length_c [10.1224]
_c... |
mp-1221083 | NaNbWO6 | data_[Na4Nb4W4O24]
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
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.4126]
_cell_length_b [7.4400... |
mp-1224390 | HfAu9 | data_[Hf2Au18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3954]
_cell_length_b [4.1466]
_cell_length_c [9.3915]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1245699 | TiMnN2 | data_[Ti4Mn4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.8775
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9957]
_cell_length_b [4.1240]
_cell_length_c [7.1073]
_cell... |
mp-1212896 | DyNiSn4 | data_[Dy4Ni4Sn16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.4014]
_cell_length_b [28.3390]
_cell_length_c [4.5493]
_... |
mp-557993 | BiO2 | data_[Bi8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [12.5520]
_cell_length_b [5.2816]
_cell_length_c [5.6772]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1215728 | YV2BiO8 | data_[Y2V4Bi2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
V 1.6300 1.3500 0.7775
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [7.3155]
_cell_length_b [7.3155]... |
mp-861932 | LiZnAu2 | data_[Li4Zn4Au8]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3122]
_cell_length_b [6.3122]
_cell_length_c [6.3122]
_c... |
mp-11239 | ZrAg | data_[Zr2Ag2]
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 [P4/nmm]
_cell_length_a [3.4994]
_cell_length_b [3.4994]
_cell_length_c [6.6778]
_cell_angle_alpha [90.0000]
_cell... |
mp-1222544 | Li4CoRuO6 | data_[Li8Co2Ru2O12]
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
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.0476]
_cell_length_b [8.7387... |
mp-22707 | EuAgSb | data_[Eu2Ag2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.8016]
_cell_length_b [4.8016]
_cell_length_c [8.2868]... |
mp-754833 | Hf2N2O | data_[Hf8N8O4]
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 [P1]
_cell_length_a [5.4088]
_cell_length_b [6.4594]
_cell_length_c [6.9816]
_cell_ang... |
mp-756366 | LiMnNiO4 | data_[Li4Mn4Ni4O16]
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 [Imma]
_cell_length_a [5.7391]
_cell_length_b [5.75... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.