Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-866818 | Ca2SnS4 | data_[Ca4Sn2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.1983]
_cell_length_b [11.3997]
_cell_length_c [3.8714]
_cel... |
mp-1106294 | La(TmS2)3 | data_[La2Tm6S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tm 1.2500 1.7500 1.0950
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.0595]
_cell_length_b [3.9813]
_cell_length_c [11.2728]
... |
mp-3574 | MnAlCu2 | data_[Mn4Al4Cu8]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9216]
_cell_length_b [5.9216]
_cell_length_c [5.9216]
_c... |
mp-1183896 | Eu2AgGe | data_[Eu8Ag4Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5165]
_cell_length_b [7.5165]
_cell_length_c [7.5165]
_c... |
mp-1094027 | TmTe | data_[Tm2Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2723]
_cell_length_b [4.2723]
_cell_length_c [7.2365]
_cell_angle_alpha [90.0000]
_ce... |
mp-1018094 | BaGaSnH | data_[Ba1Ga1Sn1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.6093]
_cell_length_b [4.609... |
mp-1112941 | Cs2AgSbI6 | data_[Cs8Ag4Sb4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.1383]
_cell_length_b [12... |
mp-29711 | Tl2Te3 | data_[Tl8Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.3772]
_cell_length_b [6.6600]
_cell_length_c [8.1801]
_cell_angle_alpha [90.0000]
_cell... |
mp-863657 | PmCl2 | data_[Pm2Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.1016]
_cell_length_b [7.1016]
_cell_length_c [3.5721]
_cell_angle_alpha [90.0000]
_ce... |
mp-12599 | PrTl | data_[Pr1Tl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9415]
_cell_length_b [3.9415]
_cell_length_c [3.9415]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1112450 | K2AgSbCl6 | data_[K8Ag4Sb4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.7070]
_cell_length_b [10... |
mp-555934 | VF2 | data_[V2F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.8946]
_cell_length_b [4.8946]
_cell_length_c [3.3252]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-22117 | GdB2Rh3 | data_[Gd1B2Rh3]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4625]
_cell_length_b [5.4625]
_cell_length_c [3.1302]
_ce... |
mp-1079862 | SrTl2Pd | data_[Sr4Tl8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tl 1.6200 1.9000 1.3325
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5471]
_cell_length_b [11.1262]
_cell_length_c [8.4571]
_c... |
mp-8540 | NdRhC2 | data_[Nd2Rh2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Rh 2.2800 1.3500 0.7450
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.7184]
_cell_length_b [4.7308]
_cell_length_c [6.6371]
_cell... |
mp-18462 | TbGa3Os | data_[Tb3Ga9Os3]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.4497]
_cell_length_b [6.4497]
_cell_length_c [6.4497]
_c... |
mp-1079910 | SiTc | data_[Si4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [4.7851]
_cell_length_b [4.7851]
_cell_length_c [4.7851]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1223785 | HoEr | data_[Ho1Er1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.5745]
_cell_length_b [3.5745]
_cell_length_c [5.6771]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1226737 | Ce2SeS | data_[Ce2Se1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1197]
_cell_length_b [4.1197]
_cell_length_c [5.8274]
_ce... |
mp-1187208 | Ta2ReW | data_[Ta8Re4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Re 1.9000 1.3500 0.7125
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4491]
_cell_length_b [6.4491]
_cell_length_c [6.4491]
_cel... |
mp-1189749 | Mg2GaB2Ir5 | data_[Mg4Ga2B4Ir10]
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
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.4938]
_cell_length_b [9.... |
mp-510565 | Cs2AgF4 | data_[Cs8Ag4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [14.5106]
_cell_length_b [6.5766]
_cell_length_c [6.5809]
_ce... |
mp-766122 | Mg3Mn4O7 | data_[Mg6Mn8O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1200]
_cell_length_b [4.4120]
_cell_length_c [21.8908]
_ce... |
mp-979419 | Dy3Y | data_[Dy3Y1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0379]
_cell_length_b [5.0379]
_cell_length_c [5.0379]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-19731 | CeMgPd | data_[Ce3Mg3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mg 1.3100 1.5000 0.8600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6276]
_cell_length_b [7.6276]
_cell_length_c [4.0829]
_c... |
mp-27036 | CrP2O7 | data_[Cr2P4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.6161]
_cell_length_b [7.9033]
_cell_length_c [4.5486]
_cell_an... |
mp-1179655 | Sc | data_[Sc12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.0005]
_cell_length_b [8.8081]
_cell_length_c [6.4014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-1185963 | MgSc2Ir | data_[Mg4Sc8Ir4]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6948]
_cell_length_b [6.6948]
_cell_length_c [6.6948]
_c... |
mp-570157 | ZrBrN | data_[Zr2Br2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.6390]
_cell_length_b [4.1717]
_cell_length_c [9.0039]
_cell... |
mp-1227575 | Ca2MnRuO6 | data_[Ca4Mn2Ru2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mn 1.5500 1.4000 0.8775
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5141]
_cell_length_b [5.... |
mp-1206394 | Eu(MgAs)2 | data_[Eu1Mg2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Mg 1.3100 1.5000 0.8600
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4190]
_cell_length_b [4.4190]
_cell_length_c [7.3185]
_c... |
mp-1224309 | HfGa2Ag | data_[Hf1Ga2Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2058]
_cell_length_b [4.2058]
_cell_length_c [3.9905]
_... |
mp-8794 | K4UO5 | data_[K8U2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5585]
_cell_length_b [6.5599]
_cell_length_c [9.8364]
_cell_ang... |
mp-756272 | LaDyO3 | data_[La4Dy4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Dy 1.2200 1.7500 1.1310
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [6.1279]
_cell_length_b [5.9416]
_cell_length_c [8.5770]
_c... |
mp-1184830 | HoTmPd2 | data_[Ho4Tm4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9556]
_cell_length_b [6.9556]
_cell_length_c [6.9556]
_c... |
mp-559634 | Ni3(BiS)2 | data_[Ni9Bi6S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8185]
_cell_length_b [5.8185]
_cell_length_c [13.2525]
_cel... |
mp-570962 | SbI3(BrCl3)2 | data_[Sb1I3Br2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.6682]
_cell_length_b [8.0391... |
mp-1103391 | Tb2Al | data_[Tb8Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5733]
_cell_length_b [5.1336]
_cell_length_c [9.4412]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1207229 | Cs2MoBr6 | data_[Cs8Mo4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mo 2.1600 1.4500 0.7750
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.0852]
_cell_length_b [11.0852]
_cell_length_c [11.0852... |
mp-1207128 | Th3Pt5 | data_[Th3Pt5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.2786]
_cell_length_b [7.2786]
_cell_length_c [3.8867]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1187742 | TlIn3 | data_[Tl2In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.9057]
_cell_length_b [4.9057]
_cell_length_c [9.3496]
_cell_angle_alpha [90.0000]
_cell... |
mp-1186333 | NdSm3 | data_[Nd2Sm6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.3118]
_cell_length_b [7.3118]
_cell_length_c [5.9777]
_cell_angle_alpha [90.0000]
_ce... |
mp-1079351 | Sr2CuMoO6 | data_[Sr4Cu2Mo2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.4671]
_cell_length_b [5.46... |
mp-1224184 | HfZrB4 | data_[Hf1Zr1B4]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.1630]
_cell_length_b [3.5202]
_cell_length_c [5.4796]
_cell... |
mp-753307 | LiNi4O4F | data_[Li2Ni8O8F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [2.9647]
_cell_length_b [2.964... |
mp-555377 | Li4WO5 | data_[Li8W2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1554]
_cell_length_b [5.1914]
_cell_length_c [7.8522]
_cell_a... |
mp-15968 | Sm(CoSi)2 | data_[Sm2Co4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9204]
_cell_length_b [3.9204]
_cell_length_c [9.8877]
_... |
mp-1188566 | VAg2AsO6 | data_[V2Ag4As2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5357]
_cell_length_b [6.5374]... |
mp-22899 | LiI | data_[Li4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0257]
_cell_length_b [6.0257]
_cell_length_c [6.0257]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-20399 | Ba2MnMoO6 | data_[Ba8Mn4Mo4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mn 1.5500 1.4000 0.8775
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 [8.3175]
_cell_length_b [8.3... |
mp-1218329 | SrCdGa | data_[Sr4Cd4Ga4]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5381]
_cell_length_b [4.8983]
_cell_length_c [7.9605]
_c... |
mp-18746 | BaEr2CoO5 | data_[Ba2Er4Co2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Er 1.2400 1.7500 1.0300
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.7678]
_cell_length_b [5.79... |
mp-11593 | CeB2Ir3 | data_[Ce1B2Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4692]
_cell_length_b [5.4692]
_cell_length_c [3.2049]
_ce... |
mp-1104205 | BaErFe4O7 | data_[Ba2Er2Fe8O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Er 1.2400 1.7500 1.0300
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.3333]
_cell_length_b [6.333... |
mp-1209293 | PrSBr | data_[Pr4S4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1239]
_cell_length_b [7.1658]
_cell_length_c [7.0522]
_ce... |
mp-1523267 | KSrEuWO6 | data_[K4Sr4Eu4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sr 0.9500 2.0000 1.3200
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 [F-43m]
_cell_length_a ... |
mp-625526 | Te(HO2)2 | data_[Te2H4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.9490]
_cell_length_b [4.9704]
_cell_length_c [5.2657]
_cell_ang... |
mp-972241 | Ti2ReTc | data_[Ti8Re4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Re 1.9000 1.3500 0.7125
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2337]
_cell_length_b [6.2337]
_cell_length_c [6.2337]
_c... |
mp-1039246 | MgCd | data_[Mg6Cd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.6322]
_cell_length_b [5.2866]
_cell_length_c [6.0849]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-754634 | Li6WO6 | data_[Li18W3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.7953]
_cell_length_b [5.7953]
_cell_length_c [13.8256]
_cell... |
mp-1291 | ErIn3 | data_[Er1In3]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6344]
_cell_length_b [4.6344]
_cell_length_c [4.6344]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1185456 | Lu2PdAu | data_[Lu8Pd4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9578]
_cell_length_b [6.9578]
_cell_length_c [6.9578]
_c... |
mp-1205913 | Ba2FeF6 | data_[Ba4Fe2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Fe 1.8300 1.4000 0.8525
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2493]
_cell_length_b [4.2493]
_cell_length_c [16.2173]
_... |
mp-13072 | PrGe3Rh | data_[Pr2Ge6Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.4394]
_cell_length_b [4.4394]
_cell_length_c [10.1873]
_c... |
mp-1070761 | Ni(BW)2 | data_[Ni2B4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.2007]
_cell_length_b [4.5890]
_cell_length_c [7.1146]
_cell_a... |
mp-1184086 | Er2MgCd | data_[Er8Mg4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4784]
_cell_length_b [7.4784]
_cell_length_c [7.4784]
_c... |
mp-715553 | VO2 | data_[V4O8]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.9380]
_cell_length_b [4.9496]
_cell_length_c [9.3574]
_cell_angle_alpha [90.0350]
_cell_angle_b... |
mp-1272524 | CrO | data_[Cr4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [3.9592]
_cell_length_b [4.7005]
_cell_length_c [5.4238]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1078450 | CeCdPt | data_[Ce3Cd3Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6566]
_cell_length_b [7.6566]
_cell_length_c [4.0815]
_c... |
mp-1213902 | Ce5Ge2Pd | data_[Ce20Ge8Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.8260]
_cell_length_b [7.8260]
_cell_length_c [13.0420]... |
mp-30192 | Pr4Se3O4 | data_[Pr8Se6O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.5423]
_cell_length_b [4.0726]
_cell_length_c [13.1634]
_cel... |
mp-1214485 | Ba3Ta2CoO9 | data_[Ba3Ta2Co1O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ta 1.5000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8401]
_cell_length_b [5.84... |
mp-1635 | TbMg | data_[Tb1Mg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7989]
_cell_length_b [3.7989]
_cell_length_c [3.7989]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1207630 | Yb(Sb3Os)4 | data_[Yb2Sb24Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Sb 2.0500 1.4500 0.8300
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.4358]
_cell_length_b [9.4358]
_cell_length_c [9.4358]
_c... |
mp-1218831 | Sr2FeRuO6 | data_[Sr8Fe4Ru4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Fe 1.8300 1.4000 0.8525
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9426]
_cell_length_b [7.9... |
mp-7875 | Ba(MgSi)2 | data_[Ba2Mg4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6680]
_cell_length_b [4.6680]
_cell_length_c [11.0576]
... |
mp-1105120 | SmPO4 | data_[Sm3P3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3_221]
_cell_length_a [7.0733]
_cell_length_b [7.0733]
_cell_length_c [6.3583]
_cel... |
mp-1185027 | LaYbAu2 | data_[La4Yb4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Yb 1.1000 1.7500 1.0840
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3770]
_cell_length_b [7.3770]
_cell_length_c [7.3770]
_c... |
mp-862536 | La2CuIr | data_[La8Cu4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2419]
_cell_length_b [7.2419]
_cell_length_c [7.2419]
_c... |
mp-1205528 | SmSiOs2C | data_[Sm4Si4Os8C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9327]
_cell_length_b [11.12... |
mp-980749 | VFeRu2 | data_[V4Fe4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0133]
_cell_length_b [6.0133]
_cell_length_c [6.0133]
_cel... |
mp-567359 | CdI2 | data_[Cd5I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3303]
_cell_length_b [4.3303]
_cell_length_c [37.0530]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1209402 | Rb3Ho(PO4)2 | data_[Rb3Ho1P2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ho 1.2300 1.7500 1.0410
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7618]
_cell_length_b [5.7618... |
mp-1227715 | BaSr3(ZrSe3)4 | data_[Ba1Sr3Zr4Se12]
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
Zr 1.3300 1.5500 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [9.0420]
_cell_length_b [4.02... |
mp-12262 | CsBeF3 | data_[Cs4Be4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Be 1.5700 1.0500 0.5900
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [4.8891]
_cell_length_b [6.1302]
_cell_length_c [12.9769]
_ce... |
mp-760335 | Li3FeO4 | data_[Li6Fe2O8]
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
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.9300]
_cell_length_b [8.1101]
_cell_length_c [2.8894]
_cell... |
mp-1187265 | Tb2IrAu | data_[Tb8Ir4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ir 2.2000 1.3500 0.7650
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0614]
_cell_length_b [7.0614]
_cell_length_c [7.0614]
_c... |
mp-7101 | Ce(AlGe)2 | data_[Ce1Al2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2912]
_cell_length_b [4.2912]
_cell_length_c [6.8758]
_c... |
mp-1227939 | BaLa3(NiO4)2 | data_[Ba2La6Ni4O16]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.5289]
_cell_length_b [5.49... |
mp-1113713 | Rb2PrAgBr6 | data_[Rb8Pr4Ag4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pr 1.1300 1.8500 1.0600
Ag 1.9300 1.6000 1.0867
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.5357]
_cell_length_b [... |
mp-31414 | DySnAu | data_[Dy2Sn2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.7114]
_cell_length_b [4.7114]
_cell_length_c [7.4579]
_... |
mp-2741 | CaF2 | data_[Ca4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.5161]
_cell_length_b [5.5161]
_cell_length_c [5.5161]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-9429 | USe3 | data_[U2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7143]
_cell_length_b [4.0348]
_cell_length_c [10.1971]
_cell_angle_alpha [90.0000]
_cell_... |
mp-755905 | Na3VO3 | data_[Na6V2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9003]
_cell_length_b [6.0212]
_cell_length_c [6.4806]
_cell_an... |
mp-997085 | SrAgO2 | data_[Sr2Ag2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [7.6085]
_cell_length_b [4.5727]
_cell_length_c [3.6541]
_cell... |
mp-1173526 | Nb3NiS6 | data_[Nb6Ni2S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_322]
_cell_length_a [5.7911]
_cell_length_b [5.7911]
_cell_length_c [11.8547]
_... |
mp-1114652 | KRb2AlBr6 | data_[K4Rb8Al4Br24]
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
Al 1.6100 1.2500 0.6750
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.3337]
_cell_length_b [11... |
mp-683 | Pr2C3 | data_[Pr16C24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [8.7000]
_cell_length_b [8.7000]
_cell_length_c [8.7000]
_cell_angle_alpha [90.0000]
_cell_... |
mp-756355 | Li3V4CuO12 | data_[Li6V8Cu2O24]
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
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.2611]
_cell_length_b [9.1231]... |
mp-3213 | LaMnSi2 | data_[La4Mn4Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1633]
_cell_length_b [17.7363]
_cell_length_c [4.0269]
_c... |
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