Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1222461 | LiBi3(IO2)2 | data_[Li2Bi6I4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Bi 2.0200 1.6000 1.0350
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.6509]
_cell_length_b [5.6537]... |
mp-13128 | Cu2As2O7 | data_[Cu4As4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5071]
_cell_length_b [8.3540]
_cell_length_c [5.0197]
_cel... |
mp-1103073 | Sb2Br9 | data_[Sb2Br9]
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
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.7919]
_cell_length_b [7.7919]
_cell_length_c [9.3207]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1051 | ErNi3 | data_[Er9Ni27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9299]
_cell_length_b [4.9299]
_cell_length_c [24.1871]
_cell_angle_alpha [90.0000]
_cell... |
mp-977345 | Ho2Co3Si5 | data_[Ho8Co12Si20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.5578]
_cell_length_b [11.2743]
_cell_length_c [5.5229]
... |
mp-752703 | Li2CoNi3O8 | data_[Li6Co3Ni9O24]
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
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 [5.7202]
_cell_length_b [5.72... |
mp-973824 | LiHg3 | data_[Li4Hg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1690]
_cell_length_b [7.1690]
_cell_length_c [7.1690]
_cell_angle_alpha [90.0000]
_cell... |
mp-997010 | TlAgO2 | data_[Tl2Ag2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.4904]
_cell_length_b [3.4904]
_cell_length_c [12.9625]
... |
mp-983586 | Ac2SiHg | data_[Ac8Si4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Si 1.9000 1.1000 0.5400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9062]
_cell_length_b [7.9062]
_cell_length_c [7.9062]
_c... |
mp-1094462 | MgZn5 | data_[Mg1Zn5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [4.7916]
_cell_length_b [4.7916]
_cell_length_c [4.7709]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1205351 | La4Se3N2 | data_[La16Se12N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Se 2.5500 1.1500 1.0133
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.4223]
_cell_length_b [10.3952]
_cell_length_c [6.6458]
_... |
mp-756678 | Li2Mn3VO8 | data_[Li6Mn9V3O24]
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
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9517]
_cell_length_b [5.9517... |
mp-1113784 | Rb2EuAgCl6 | data_[Rb8Eu4Ag4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Eu 1.2000 1.8500 1.1985
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.8125]
_cell_length_b [... |
mp-1224514 | GeTe5Pb4 | data_[Ge3Te15Pb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5805]
_cell_length_b [4.5805]
_cell_length_c [55.5966]
... |
mp-1184760 | K2Bi2O5 | data_[K2Bi2O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3550]
_cell_length_b [4.3550]
_cell_length_c [8.6891]
_cell... |
mp-1206219 | Sm2CdRh2 | data_[Sm4Cd2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cd 1.6900 1.5500 1.0900
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.5800]
_cell_length_b [7.5800]
_cell_length_c [3.8668]
_... |
mp-7817 | YB12 | data_[Y4B48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5006]
_cell_length_b [7.5006]
_cell_length_c [7.5006]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1227463 | BiSbTe2 | data_[Bi3Sb3Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3766]
_cell_length_b [4.3766]
_cell_length_c [25.1800]
_c... |
mp-862370 | Sc2PdRu | data_[Sc8Pd4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Pd 2.2000 1.4000 0.8462
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5142]
_cell_length_b [6.5142]
_cell_length_c [6.5142]
_c... |
mp-2332 | Ho2C3 | data_[Ho16C24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [8.1894]
_cell_length_b [8.1894]
_cell_length_c [8.1894]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1113746 | Rb2CeAgI6 | data_[Rb8Ce4Ag4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ce 1.1200 1.8500 1.0800
Ag 1.9300 1.6000 1.0867
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.3213]
_cell_length_b [12... |
mp-12364 | BaCu2SnSe4 | data_[Ba4Cu8Sn4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [11.2136]
_cell_length_b [1... |
mp-675964 | Li5GeAs3 | data_[Li20Ge4As12]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [13.4743]
_cell_length_b [6.0781]
_cell_length_c [8.6926]
_c... |
mp-28400 | P3Ru | data_[P12Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9242]
_cell_length_b [5.9769]
_cell_length_c [8.1461]
_cell_angle_alpha [68.6757]
_cell_ang... |
mp-10337 | BaYAgTe3 | data_[Ba4Y4Ag4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5392]
_cell_length_b [15.1... |
mp-1222332 | LiGd(WO4)2 | data_[Li2Gd2W4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Gd 1.2000 1.8000 1.0750
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.2608]
_cell_length_b [5.2608]... |
mp-552454 | SrTaNO2 | data_[Sr4Ta4N4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ta 1.5000 1.4500 0.8200
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.6765]
_cell_length_b [5.676... |
mp-1235619 | LiMn2P2(H2O5)2 | data_[Li1Mn2P2H4O10]
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
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.... |
mp-14115 | LiRhO2 | data_[Li3Rh3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0943]
_cell_length_b [3.0943]
_cell_length_c [14.2231]
_cel... |
mp-1066131 | YTlS2 | data_[Y3Tl3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0420]
_cell_length_b [4.0420]
_cell_length_c [22.5349]
_cell_... |
mp-977575 | MgSbRu2 | data_[Mg4Sb4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sb 2.0500 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3079]
_cell_length_b [6.3079]
_cell_length_c [6.3079]
_c... |
mp-1187536 | ThTaN3 | data_[Th4Ta4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ta 1.5000 1.4500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.7136]
_cell_length_b [8.0215]
_cell_length_c [5.7766]
_cel... |
mp-1205888 | NbFe(PbO3)2 | data_[Nb1Fe1Pb2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0521]
_cell_length_b [4.0... |
mp-1206223 | Sr2LuUO6 | data_[Sr8Lu4U4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Lu 1.2700 1.7500 1.0010
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6080]
_cell_length_b [8.608... |
mp-7645 | KAl(SO4)2 | data_[K1Al1S2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Al 1.6100 1.2500 0.6750
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.0166]
_cell_length_b [5.0166]
... |
mp-1221510 | MnZn4Se5 | data_[Mn3Zn12Se15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Zn 1.6500 1.3500 0.8800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0872]
_cell_length_b [4.0872]
_cell_length_c [49.9770]
_... |
mp-23657 | Na6S2ClO8F | data_[Na24S8Cl4O32F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
S 2.5800 1.0000 0.8800
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 [Fm-3m]
_cell_length_a... |
mp-5729 | YAgSn | data_[Y2Ag2Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.7482]
_cell_length_b [4.7482]
_cell_length_c [7.4356]
_ce... |
mp-863658 | PmCl3 | data_[Pm2Cl6]
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 [P6_3/mmc]
_cell_length_a [9.7071]
_cell_length_b [9.7071]
_cell_length_c [3.7470]
_cell_angle_alpha [90.0000]
_ce... |
mp-1005831 | Tb2Co3Ge5 | data_[Tb8Co12Ge20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.0980]
_cell_length_b [11.7912]
_cell_length_c [5.7336]... |
mp-1219902 | Pr4FeAs4Ru3O4 | data_[Pr4Fe1As4Ru3O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length... |
mp-1226635 | CeEuAl4 | data_[Ce4Eu4Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Eu 1.2000 1.8500 1.1985
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.9820]
_cell_length_b [7.9820]
_cell_length_c [7.9820]
_... |
mp-865420 | Lu2CuTc | data_[Lu8Cu4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Cu 1.9000 1.3500 0.8200
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6832]
_cell_length_b [6.6832]
_cell_length_c [6.6832]
_c... |
mp-546082 | TmBi2ClO4 | data_[Tm1Bi2Cl1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Bi 2.0200 1.6000 1.0350
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8714]
_cell_length_b [3.8... |
mp-1205597 | Ba2TbMoO6 | data_[Ba8Tb4Mo4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tb 1.1000 1.7500 0.9815
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 [8.5302]
_cell_length_b [8.5... |
mp-1206983 | Ho3PbC | data_[Ho3Pb1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
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 [4.8879]
_cell_length_b [4.8879]
_cell_length_c [4.8879]
_cel... |
mp-20115 | Eu(SiPd)2 | data_[Eu2Si4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2477]
_cell_length_b [4.2477]
_cell_length_c [10.0197]
... |
mp-1206729 | NbGa(PbO3)2 | data_[Nb4Ga4Pb8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ga 1.8100 1.3000 0.7600
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0465]
_cell_length_b [8.0... |
mp-757192 | SnP2O7 | data_[Sn2P4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1746]
_cell_length_b [6.8548]
_cell_length_c [8.4593]
_cell_a... |
mp-9574 | NaBeSb | data_[Na2Be2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Be 1.5700 1.0500 0.5900
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.1710]
_cell_length_b [4.1710]
_cell_length_c [9.3756]... |
mp-647029 | Gd3P4Pd7 | data_[Gd6P8Pd14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5054]
_cell_length_b [4.0326]
_cell_length_c [9.4809]
_ce... |
mp-1200 | TbCo5 | data_[Tb1Co5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9312]
_cell_length_b [4.9312]
_cell_length_c [3.9474]
_cell_angle_alpha [90.0000]
_cell... |
mp-773100 | La2BiO5 | data_[La4Bi2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7221]
_cell_length_b [5.7744]
_cell_length_c [8.8061]
_cell_... |
mp-752986 | Li4CuNi3O8 | data_[Li8Cu2Ni6O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
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 [10.5158]
_cell_length_b [5.5... |
mp-558066 | NaCaVO4 | data_[Na4Ca4V4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ca 1.0000 1.8000 1.1400
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.1130]
_cell_length_b [9.4997... |
mp-631961 | La5In3Br | data_[La10In6Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
In 1.7800 1.5500 0.9400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.8047]
_cell_length_b [9.8047]
_cell_length_c [6.9733... |
mp-4189 | Dy6FeSb2 | data_[Dy6Fe1Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Fe 1.8300 1.4000 0.8525
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.2274]
_cell_length_b [8.2274]
_cell_length_c [4.1420]
_c... |
mp-1227794 | BaSrCa2Tl(CuO3)3 | data_[Ba1Sr1Ca2Tl1Cu3O9]
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
Ca 1.0000 1.8000 1.1400
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_gro... |
mp-12807 | KAlO2 | data_[K4Al4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_12_12]
_cell_length_a [5.5827]
_cell_length_b [5.5827]
_cell_length_c [7.7777]
_ce... |
mvc-15869 | ZnAgF5 | data_[Zn2Ag2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5046]
_cell_length_b [5.5358]
_cell_length_c [8.0007]
_cell... |
mp-1222584 | Li3Ag2 | data_[Li6Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3410]
_cell_length_b [3.3410]
_cell_length_c [14.9203]
_cell_angle_alpha [90.0000]
_cel... |
mp-15727 | La(P3Ru)4 | data_[La2P24Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.1115]
_cell_length_b [8.1115]
_cell_length_c [8.1115]
_cel... |
mp-1246597 | Dy3Mg2TiS8 | data_[Dy9Mg6Ti3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8204]
_cell_length_b [7.82... |
mp-1188243 | Mg2FeB2Ir5 | data_[Mg4Fe2B4Ir10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Fe 1.8300 1.4000 0.8525
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 [9.4595]
_cell_length_b [9.... |
mp-1212787 | Er2MgTiO6 | data_[Er4Mg2Ti2O12]
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
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3031]
_cell_length_b [5.... |
mp-568347 | NbSe2 | data_[Nb8Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [3.5000]
_cell_length_b [6.0568]
_cell_length_c [37.7951]
_cell_angle_alpha [90.0000]
_ce... |
mp-1102911 | SrF2 | data_[Sr4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.3720]
_cell_length_b [3.8308]
_cell_length_c [7.5214]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1215901 | YErAl4 | data_[Y4Er4Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8487]
_cell_length_b [7.8487]
_cell_length_c [7.8487]
_ce... |
mp-551086 | CrFe(BiO3)2 | data_[Cr3Fe3Bi6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.6121]
_cell_length_b [5.6121... |
mp-22865 | CsCl | data_[Cs1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2091]
_cell_length_b [4.2091]
_cell_length_c [4.2091]
_cell_angle_alpha [90.0000]
_cell_... |
mp-7523 | Th2TeN2 | data_[Th4Te2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Te 2.1000 1.4000 1.2933
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1087]
_cell_length_b [4.1087]
_cell_length_c [13.1689]
_c... |
mp-542177 | PuAl3 | data_[Pu9Al27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1200]
_cell_length_b [6.1200]
_cell_length_c [21.4915]
_cell_angle_alpha [90.0000]
_cell... |
mp-21125 | LuMnO3 | data_[Lu4Mn4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7749]
_cell_length_b [7.4440]
_cell_length_c [5.2418]
_cel... |
mp-865996 | YbSbPd2 | data_[Yb4Sb4Pd8]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7478]
_cell_length_b [6.7478]
_cell_length_c [6.7478]
_c... |
mp-1173671 | Na3PO4 | data_[Na6P2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.9408]
_cell_length_b [5.8743]
_cell_length_c [5.5148]
_cell... |
mp-1206034 | Lu6MnBi2 | data_[Lu6Mn1Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mn 1.5500 1.4000 0.8775
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.1320]
_cell_length_b [8.1320]
_cell_length_c [4.2143]
_c... |
mp-560369 | La2MnVO6 | data_[La4Mn2V2O12]
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
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6265]
_cell_length_b [5.70... |
mp-1087499 | NiPPd | data_[Ni3P3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.0377]
_cell_length_b [6.0377]
_cell_length_c [3.6270]
_cel... |
mp-1104636 | Er(AlC)3 | data_[Er2Al6C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.4191]
_cell_length_b [3.4191]
_cell_length_c [17.2727]
... |
mp-755408 | Li4Co5O9F | data_[Li8Co10O18F2]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6784]
_cell_length_b [2.8551]... |
mp-865595 | Lu2CuRu | data_[Lu8Cu4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Cu 1.9000 1.3500 0.8200
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6901]
_cell_length_b [6.6901]
_cell_length_c [6.6901]
_c... |
mp-985591 | Li6PS5Br | data_[Li24P4S20Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.3052]
_cell_length_b [10.... |
mp-1017543 | ZrPd3 | data_[Zr1Pd3]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0395]
_cell_length_b [4.0395]
_cell_length_c [4.0395]
_cell_angle_alpha [90.0000]
_cell_... |
mp-971804 | ZnNi3 | data_[Zn2Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6093]
_cell_length_b [3.6093]
_cell_length_c [7.0131]
_cell_angle_alpha [90.0000]
_cell... |
mp-1225829 | CsTiAlO4 | data_[Cs4Ti4Al4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.8216]
_cell_length_b [9.16... |
mp-1217674 | Tb2SiGe | data_[Tb4Si2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.9119]
_cell_length_b [4.3285]
_cell_length_c [10.6796]
_c... |
mp-1216575 | Tl4Bi | data_[Tl12Bi3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4982]
_cell_length_b [3.4982]
_cell_length_c [44.6845]
_cell_angle_alpha [90.0000]
_cell... |
mp-569650 | Ho(GeRh)2 | data_[Ho2Ge4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
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 [4.1427]
_cell_length_b [4.1427]
_cell_length_c [10.3434]
... |
mp-1209665 | Rb3LiPb4 | data_[Rb12Li4Pb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.5307]
_cell_length_b [16.8576]
_cell_length_c [10.6014]... |
mp-1079880 | ErPdPb | data_[Er3Pd3Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8505]
_cell_length_b [7.8505]
_cell_length_c [3.8394]
_c... |
mp-28628 | Li3FeN2 | data_[Li12Fe4N8]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [4.8019]
_cell_length_b [9.5148]
_cell_length_c [4.6651]
_cel... |
mp-1436 | EuAg2 | data_[Eu4Ag8]
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
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.8255]
_cell_length_b [7.5041]
_cell_length_c [8.3067]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-23157 | Bi | data_[Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9772]
_cell_length_b [6.2652]
_cell_length_c [3.3589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0360]
_cell_angle... |
mp-1185507 | LuAgHg2 | data_[Lu4Ag4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0216]
_cell_length_b [7.0216]
_cell_length_c [7.0216]
_c... |
mp-626689 | Fe(HO)2 | data_[Fe2H4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.7392]
_cell_length_b [3.3017]
_cell_length_c [4.6482]
_cell_ang... |
mp-1018902 | PrSbPt | data_[Pr2Sb2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.5930]
_cell_length_b [4.5930]
_cell_length_c [8.1845]
_... |
mp-30050 | Ba(GeRu)2 | data_[Ba8Ge16Ru16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.4710]
_cell_length_b [10.6543]
_cell_length_c [12.8357]... |
mp-551269 | Ba2LaSbO6 | data_[Ba6La3Sb3O18]
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
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.1892]
_cell_length_b [6.189... |
mp-1218191 | SrLaCoO4 | data_[Sr4La4Co4O16]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4334]
_cell_length_b [12.6... |
mp-753409 | Li2FeCoO4 | data_[Li2Fe1Co1O4]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.1079]
_cell_length_b [2.955... |
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