Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-680676 | K2Dy4Cu4S9 | data_[K8Dy16Cu16S36]
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
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [13.7743]
_cell_length_b [3.950... |
mp-999491 | NaCeSe2 | data_[Na3Ce3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ce 1.1200 1.8500 1.0800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3002]
_cell_length_b [4.3002]
_cell_length_c [20.8662]
_c... |
mp-1078326 | Ca2GePd2 | data_[Ca16Ge8Pd16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [10.1178]
_cell_length_b [15.4956]
_cell_length_c [5.6118]... |
mp-1187922 | ZnInRh2 | data_[Zn4In4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2832]
_cell_length_b [6.2832]
_cell_length_c [6.2832]
_c... |
mp-12403 | LiBF4 | data_[Li3B3F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
B 2.0400 0.8500 0.4100
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [4.9949]
_cell_length_b [4.9949]
_cell_length_c [11.2334]
_ce... |
mp-1105487 | Fe4CoSiB2 | data_[Fe16Co4Si4B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.4755]
_cell_length_b [5.... |
mp-1216604 | TmAlCo4 | data_[Tm1Al1Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.0184]
_cell_length_b [5.0184]
_cell_length_c [3.8924]
_c... |
mp-1220741 | NaLaTa2O7 | data_[Na2La2Ta4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
La 1.1000 1.9500 1.1720
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9255]
_cell_length_b [3.9... |
mp-568155 | U(AlC)3 | data_[U2Al6C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Al 1.6100 1.2500 0.6750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.3876]
_cell_length_b [3.3876]
_cell_length_c [17.4263]
_cel... |
mp-754611 | NbVO4 | data_[Nb2V2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9495]
_cell_length_b [3.9495]
_cell_length_c [9.9000]
_cell_... |
mp-1299257 | LiV3O4 | data_[Li4V12O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.0663]
_cell_length_b [6.1462]
_cell_length_c [8.6415]
_cell... |
mp-755000 | LiTiO2 | data_[Li2Ti2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [2.9006]
_cell_length_b [2.9006]
_cell_length_c [10.2518]
_c... |
mp-1079433 | BaMg4Si3 | data_[Ba1Mg4Si3]
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 [P4/mmm]
_cell_length_a [4.6257]
_cell_length_b [4.6257]
_cell_length_c [8.6179]
_... |
mp-1218406 | SrCa2(FeO2)3 | data_[Sr1Ca2Fe3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0182]
_cell_length_b [4.0... |
mp-21079 | Tb(GeRu)2 | data_[Tb2Ge4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2698]
_cell_length_b [4.2698]
_cell_length_c [9.9231]
_... |
mp-1114404 | KRb2IrF6 | data_[K4Rb8Ir4F24]
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
Ir 2.2000 1.3500 0.7650
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.1241]
_cell_length_b [9.124... |
mp-1104171 | Yb(GaSe2)2 | data_[Yb4Ga8Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [6.3336]
_cell_length_b [10.5818]
_cell_length_c [10.6650]
... |
mp-1187565 | Tm2IrPt | data_[Tm8Ir4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ir 2.2000 1.3500 0.7650
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8346]
_cell_length_b [6.8346]
_cell_length_c [6.8346]
_c... |
mp-1227380 | Ca(YTe2)2 | data_[Ca1Y2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Y 1.2200 1.8000 1.0400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5438]
_cell_length_b [4.4220]
_cell_length_c [7.7625]
_cell... |
mp-1095496 | ErGa4Ni | data_[Er4Ga16Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1200]
_cell_length_b [15.1528]
_cell_length_c [6.5937]
_... |
mp-1186951 | Sc2PdRh | data_[Sc8Pd4Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5521]
_cell_length_b [6.5521]
_cell_length_c [6.5521]
_c... |
mp-1112073 | K2BiAuCl6 | data_[K8Bi4Au4Cl24]
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
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.8257]
_cell_length_b [10... |
mp-1187598 | Tm2MgCd | data_[Tm8Mg4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
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 [7.4448]
_cell_length_b [7.4448]
_cell_length_c [7.4448]
_c... |
mp-1295 | Yb4Sb3 | data_[Yb16Sb12]
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
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.4491]
_cell_length_b [9.4491]
_cell_length_c [9.4491]
_cell_angle_alpha [90.0000]
_cel... |
mp-1227023 | Ca6Br2N3Cl | data_[Ca6Br2N3Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.7008]
_cell_length_b [3.70... |
mp-1189599 | Pr3In5 | data_[Pr12In20]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.3057]
_cell_length_b [8.3908]
_cell_length_c [10.6465]
_cell_angle_alpha [90.0000]
_ce... |
mp-865933 | LiSiIr2 | data_[Li4Si4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8189]
_cell_length_b [5.8189]
_cell_length_c [5.8189]
_c... |
mp-1228473 | Al3GePd4 | data_[Al9Ge3Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.9834]
_cell_length_b [6.9834]
_cell_length_c [8.5103]
_cel... |
mp-1224034 | Ho2Al3Fe | data_[Ho6Al9Fe3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5058]
_cell_length_b [5.5058]
_cell_length_c [13.0301]
_c... |
mp-1217967 | SrPPt | data_[Sr1P1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
P 2.1900 1.0000 0.5500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.1382]
_cell_length_b [4.1382]
_cell_length_c [4.5245]
_cel... |
mp-1007855 | FeNi3 | data_[Fe2Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5340]
_cell_length_b [3.5340]
_cell_length_c [7.0792]
_cell_angle_alpha [90.0000]
_cell... |
mp-642803 | Zr2HBr2 | data_[Zr8H4Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
H 2.2000 0.2500 0.0000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.4481]
_cell_length_b [3.5335]
_cell_length_c [5.9762]
_cel... |
mp-1220492 | NbAlCo | data_[Nb8Al8Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.9735]
_cell_length_b [5.0215]
_cell_length_c [8.4713]
_ce... |
mp-1217232 | U6Cu3Ni3Sb8 | data_[U12Cu6Ni6Sb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.4367]
_cell_length_b [9.49... |
mp-1221678 | MnCd4S5 | data_[Mn3Cd12S15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cd 1.6900 1.5500 1.0900
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1648]
_cell_length_b [4.1648]
_cell_length_c [50.8098]
_ce... |
mp-1206741 | Si2Ir | data_[Si8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7203]
_cell_length_b [5.7203]
_cell_length_c [5.7203]
_cell_angle_alpha [90.0000]
_cell_... |
mp-9576 | KSbSe2 | data_[K4Sb4Se8]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.6599]
_cell_length_b [6.5955]
_cell_length_c [13.5346]
_cel... |
mp-7135 | TbS2 | data_[Tb2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8704]
_cell_length_b [3.8704]
_cell_length_c [8.0040]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1222283 | LuSc(BO3)2 | data_[Lu3Sc3B6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Sc 1.3600 1.6000 0.8850
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.8563]
_cell_length_b [4.8563]... |
mp-755199 | VGeO3 | data_[V8Ge8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9583]
_cell_length_b [9.2527]
_cell_length_c [5.2729]
_cell_... |
mp-554074 | NbS2 | data_[Nb8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3612]
_cell_length_b [5.8198]
_cell_length_c [39.3290]
_cell_angle_alpha [90.0000]
_cell... |
mp-1077469 | Li3GdBi2 | data_[Li3Gd1Bi2]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6953]
_cell_length_b [4.6953]
_cell_length_c [7.3665]
_c... |
mp-11737 | Li4SiO4 | data_[Li8Si2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0454]
_cell_length_b [5.0520]
_cell_length_c [7.5703]
_cell_... |
mp-1219102 | SmAlFe | data_[Sm8Al8Fe8]
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
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.7188]
_cell_length_b [5.4719]
_cell_length_c [9.5036]
_ce... |
mp-1080713 | Er2Ni2Sn | data_[Er4Ni4Sn2]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.2569]
_cell_length_b [7.2569]
_cell_length_c [3.6674]
_... |
mp-1209745 | Pr3NbSb5 | data_[Pr6Nb2Sb10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Nb 1.6000 1.4500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.5128]
_cell_length_b [9.5128]
_cell_length_c [6.2777... |
mp-1114494 | Rb3BiF6 | data_[Rb12Bi4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Bi 2.0200 1.6000 1.0350
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.8893]
_cell_length_b [9.8893]
_cell_length_c [9.8893]
_c... |
mp-30672 | Ti3Ga | data_[Ti6Ga2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.6984]
_cell_length_b [5.6984]
_cell_length_c [4.6511]
_cell_angle_alpha [90.0000]
_ce... |
mp-865496 | VIr3 | data_[V2Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4659]
_cell_length_b [5.4659]
_cell_length_c [4.3578]
_cell_angle_alpha [90.0000]
_cell... |
mp-31040 | NbCl4 | data_[Nb4Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1162]
_cell_length_b [6.8970]
_cell_length_c [8.7388]
_cell_angle_alpha [90.0000]
_cell... |
mp-1069697 | VAu4 | data_[V2Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.5252]
_cell_length_b [6.5252]
_cell_length_c [4.0634]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1216052 | Y3SiS2 | data_[Y6Si2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Si 1.9000 1.1000 0.5400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0232]
_cell_length_b [5.6327]
_cell_length_c [11.9678]
_cell_... |
mp-1077922 | Tl2Rh3S2 | data_[Tl6Rh9S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Rh 2.2800 1.3500 0.7450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7566]
_cell_length_b [5.7566]
_cell_length_c [14.2568]
_cel... |
mp-865911 | YbPmHg2 | data_[Yb4Pm4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Pm 1.1300 1.8500 1.1100
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5609]
_cell_length_b [7.5609]
_cell_length_c [7.5609]
_c... |
mp-21096 | CaMnSi | data_[Ca2Mn2Si2]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9217]
_cell_length_b [3.9217]
_cell_length_c [7.9056]
_... |
mp-7693 | BaTm2F8 | data_[Ba2Tm4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tm 1.2500 1.7500 1.0950
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9623]
_cell_length_b [10.5055]
_cell_length_c [4.2715]
_ce... |
mp-11287 | CaHg2 | data_[Ca1Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0173]
_cell_length_b [5.0173]
_cell_length_c [3.6189]
_cell_angle_alpha [90.0000]
_cell... |
mp-1226512 | Co(NiSe2)2 | data_[Co2Ni4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9908]
_cell_length_b [3.6315]
_cell_length_c [6.1646]
_cel... |
mp-643912 | Ca5Ge3H | data_[Ca20Ge12H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ge 2.0100 1.2500 0.7700
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.7390]
_cell_length_b [7.7390]
_cell_length_c [14.5920]
... |
mp-989614 | LaReN3 | data_[La4Re4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Re 1.9000 1.3500 0.7125
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0632]
_cell_length_b [5.3747]
_cell_length_c [11.2788]
_... |
mp-863703 | Pm2MgSn | data_[Pm8Mg4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6619]
_cell_length_b [7.6619]
_cell_length_c [7.6619]
_c... |
mp-850922 | Li3Fe2(SiO4)2 | data_[Li3Fe2Si2O8]
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
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0330]
_cell_length_b [5.3156]... |
mp-29797 | GdBrO | data_[Gd2Br2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9064]
_cell_length_b [3.9064]
_cell_length_c [8.7788]
_ce... |
mp-1079572 | LaNiSb2 | data_[La2Ni2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4473]
_cell_length_b [4.4473]
_cell_length_c [9.9349]
_... |
mp-38972 | Ba3Re2O9 | data_[Ba9Re6O27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7777]
_cell_length_b [5.7777]
_cell_length_c [21.0951]
_ce... |
mp-568924 | PrB2Rh2C | data_[Pr2B4Rh4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8926]
_cell_length_b [3.892... |
mp-1018828 | NpSeO | data_[Np2Se2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8813]
_cell_length_b [3.8813]
_cell_length_c [6.9825]
_ce... |
mp-1184638 | HoAl3 | data_[Ho2Al6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.2366]
_cell_length_b [6.2366]
_cell_length_c [4.6257]
_cell_angle_alpha [90.0000]
_ce... |
mp-19974 | In2Ag | data_[In8Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.9403]
_cell_length_b [6.9403]
_cell_length_c [5.8597]
_cell_angle_alpha [90.0000]
_cell... |
mp-20517 | BPd3 | data_[B4Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5347]
_cell_length_b [7.7089]
_cell_length_c [4.8977]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-27294 | Ca3AsBr3 | data_[Ca3As1Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
As 2.1800 1.1500 0.6600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.9659]
_cell_length_b [5.9659]
_cell_length_c [5.9659]
_c... |
mp-1102568 | EuZnAu | data_[Eu4Zn4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5455]
_cell_length_b [4.6927]
_cell_length_c [8.0115]
_ce... |
mp-639347 | BaEuFe2O5 | data_[Ba1Eu1Fe2O5]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.9827]
_cell_length_b [3.982... |
mp-1205745 | Er2MgCu2 | data_[Er4Mg2Cu4]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.6422]
_cell_length_b [7.6422]
_cell_length_c [3.5817]
_... |
mp-1220357 | NbReMo | data_[Nb4Re4Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Re 1.9000 1.3500 0.7125
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [3.1933]
_cell_length_b [4.5345]
_cell_length_c [13.5609]
_c... |
mp-1215915 | YScS2 | data_[Y3Sc3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sc 1.3600 1.6000 0.8850
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8022]
_cell_length_b [3.8022]
_cell_length_c [18.7905]
_cell_... |
mp-1221272 | Na2Zn3SiAs4 | data_[Na4Zn6Si2As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [16.5600]
_cell_length_b [4.08... |
mp-754114 | SrSc2O4 | data_[Sr8Sc16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sc 1.3600 1.6000 0.8850
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [9.3307]
_cell_length_b [9.3307]
_cell_length_c [9.3307]
_c... |
mp-754029 | Li2VCrO4 | data_[Li4V2Cr2O8]
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
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1421]
_cell_length_b [5.1701]
... |
mp-568208 | IrCl3 | data_[Ir16Cl48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [7.2423]
_cell_length_b [10.1236]
_cell_length_c [21.1620]
_cell_angle_alpha [90.0000]
_ce... |
mp-1225676 | Cu3Te2 | data_[Cu3Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0482]
_cell_length_b [4.0482]
_cell_length_c [6.0448]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-4823 | Na2PdC2 | data_[Na2Pd1C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pd 2.2000 1.4000 0.8462
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.5121]
_cell_length_b [4.5121]
_cell_length_c [5.2830]
_cel... |
mp-1101777 | Pr3(AgSn)4 | data_[Pr6Ag8Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7313]
_cell_length_b [7.4315]
_cell_length_c [15.6877]
_c... |
mp-1184246 | ErThRu2 | data_[Er4Th4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Th 1.3000 1.8000 1.0800
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9402]
_cell_length_b [6.9402]
_cell_length_c [6.9402]
_c... |
mp-1232185 | Pr2MgSe4 | data_[Pr8Mg4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mg 1.3100 1.5000 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.7653]
_cell_length_b [8.7653]
_cell_length_c [9.2501]
_... |
mp-754019 | Na4NpO5 | data_[Na8Np2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Np 1.3600 1.7500 1.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [7.6370]
_cell_length_b [7.6370]
_cell_length_c [4.6469]
_cel... |
mp-9702 | Sr3BPO3 | data_[Sr6B2P2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
B 2.0400 0.8500 0.4100
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.3085]
_cell_length_b [5.308... |
mp-764274 | VOF3 | data_[V4O4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-42_1m]
_cell_length_a [8.7692]
_cell_length_b [8.7692]
_cell_length_c [4.0267]
_cell... |
mp-1112432 | K2AsAuI6 | data_[K8As4Au4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
As 2.1800 1.1500 0.6600
Au 2.5400 1.3500 1.0700
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.6737]
_cell_length_b [11.6... |
mp-1189329 | Y3Co | data_[Y12Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.3383]
_cell_length_b [9.4963]
_cell_length_c [7.0127]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1519609 | NaSrCeSbO6 | data_[Na4Sr4Ce4Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sr 0.9500 2.0000 1.3200
Ce 1.1200 1.8500 1.0800
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-1187563 | YbDyPt2 | data_[Yb4Dy4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Dy 1.2200 1.7500 1.1310
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9202]
_cell_length_b [6.9202]
_cell_length_c [6.9202]
_c... |
mp-3048 | U2SeN2 | data_[U2Se1N2]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8408]
_cell_length_b [3.8408]
_cell_length_c [6.8561]
_cell_... |
mp-29585 | K4CdAs2 | data_[K12Cd3As6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cd 1.6900 1.5500 1.0900
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8479]
_cell_length_b [5.8479]
_cell_length_c [28.1558]
_ce... |
mp-1216998 | Zr5Ti5Pb6 | data_[Zr10Ti10Pb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.7804]
_cell_length_b [14.7308]
_cell_length_c [8.6278]... |
mp-774043 | MnV(P2O7)2 | data_[Mn1V1P4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
V 1.6300 1.3500 0.7775
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8369]
_cell_length_b [7.0352]
_c... |
mp-867203 | Sr2CdAs2 | data_[Sr8Cd4As8]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4822]
_cell_length_b [17.0971]
_cell_length_c [7.6881]
... |
mp-2909 | HoAlNi | data_[Ho3Al3Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.9092]
_cell_length_b [6.9092]
_cell_length_c [3.9012]
_c... |
mp-546027 | CrBiO3 | data_[Cr6Bi6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [5.6000]
_cell_length_b [5.6000]
_cell_length_c [13.7949]
_cel... |
mp-557685 | NbIO2 | data_[Nb4I4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [21.6604]
_cell_length_b [3.8119]
_cell_length_c [4.0037]
_cell_... |
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