Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1105815 | Nd(Co2B)6 | data_[Nd3Co36B18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.4216]
_cell_length_b [9.4216]
_cell_length_c [7.4500]
_ce... |
mp-1226072 | Co4H | data_[Co4H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [2.5333]
_cell_length_b [2.5333]
_cell_length_c [8.1532]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-755070 | CeSmO2 | data_[Ce4Sm4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sm 1.1700 1.8500 1.2290
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.9787]
_cell_length_b [4.9787]
_cell_length_c [9.9539]
_... |
mp-636328 | TiPd3 | data_[Ti1Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9320]
_cell_length_b [3.9320]
_cell_length_c [3.9320]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1104653 | Er3FeGe3 | data_[Er12Fe4Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0614]
_cell_length_b [10.3889]
_cell_length_c [13.4942]... |
mp-753822 | La2Se2O | data_[La8Se8O4]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.0375]
_cell_length_b [7.5091]
_cell_length_c [7.4949]
_ce... |
mp-1095168 | PrCuSn2 | data_[Pr4Cu4Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4912]
_cell_length_b [18.5999]
_cell_length_c [4.7125]
_c... |
mp-1177859 | Li2SiNiO4 | data_[Li8Si4Ni4O16]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [7.2609]
_cell_length_b [7.... |
mp-1225708 | Er3S2OF3 | data_[Er12S8O4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.3731]
_cell_length_b [18.9602]
... |
mp-6122 | Ba2NdSbO6 | data_[Ba6Nd3Sb3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nd 1.1400 1.8500 1.2765
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 [6.1422]
_cell_length_b [6.142... |
mp-13948 | Cs2HfF6 | data_[Cs2Hf1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Hf 1.3000 1.5500 0.8500
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.4824]
_cell_length_b [6.4824]
_cell_length_c [5.1397]
_cel... |
mp-754225 | YbTiO3 | data_[Yb4Ti4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.4915]
_cell_length_b [7.6143]
_cell_length_c [5.3339]
_cel... |
mp-754927 | Li5Mn2Ni3O10 | data_[Li5Mn2Ni3O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0774]
_cell_length_b [5.099... |
mp-1207521 | YbVO2 | data_[Yb16V16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [9.1224]
_cell_length_b [9.1224]
_cell_length_c [9.1224]
_ce... |
mp-4386 | Cu2SO5 | data_[Cu8S4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4946]
_cell_length_b [6.4163]
_cell_length_c [7.8589]
_cell_... |
mp-1205691 | Ba2ZnOsO6 | data_[Ba8Zn4Os4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zn 1.6500 1.3500 0.8800
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.1926]
_cell_length_b [8.1... |
mp-755164 | Mn6O11F | data_[Mn12O22F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.9746]
_cell_length_b [6.3371]
_cell_length_c [6.4270]
_cell... |
mp-29770 | Na3(Mn2Te3)2 | data_[Na6Mn8Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mn 1.5500 1.4000 0.8775
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8748]
_cell_length_b [13.7681]
_cell_length_c [7.5795]
_... |
mp-1218485 | Sr3CoRuO7 | data_[Sr6Co2Ru2O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Co 1.8800 1.3500 0.7683
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.9471]
_cell_length_b [3.94... |
mp-1187877 | Yb2AgSb | data_[Yb8Ag4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4998]
_cell_length_b [7.4998]
_cell_length_c [7.4998]
_c... |
mp-1025274 | Cs2NpO4 | data_[Cs4Np2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Np 1.3600 1.7500 1.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4035]
_cell_length_b [4.4035]
_cell_length_c [15.5681]
_c... |
mp-1212882 | Dy5BiPd2 | data_[Dy20Bi4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.8424]
_cell_length_b [7.8424]
_cell_length_c [13.6733]... |
mp-1228220 | Ba4La2SbRuO12 | data_[Ba4La2Sb1Ru1O12]
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
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_... |
mp-978852 | SrGaSnH | data_[Sr1Ga1Sn1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.4874]
_cell_length_b [4.487... |
mp-1186973 | ScAg3 | data_[Sc4Ag12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7203]
_cell_length_b [6.7203]
_cell_length_c [6.7203]
_cell_angle_alpha [90.0000]
_cell... |
mp-1190043 | TlCr3Se5 | data_[Tl4Cr12Se20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cr 1.6600 1.4000 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3717]
_cell_length_b [3.7091]
_cell_length_c [12.7338]... |
mp-30579 | ErCu5 | data_[Er4Cu20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9929]
_cell_length_b [6.9929]
_cell_length_c [6.9929]
_cell_angle_alpha [90.0000]
_cell... |
mp-862621 | GaPt3 | data_[Ga4Pt12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.5463]
_cell_length_b [5.5463]
_cell_length_c [8.0049]
_cell_angle_alpha [90.0000]
_cel... |
mp-1178032 | Li2CrCuO4 | data_[Li4Cr2Cu2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0749]
_cell_length_b [4.07... |
mp-1206189 | K3ErF6 | data_[K12Er4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Er 1.2400 1.7500 1.0300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.4006]
_cell_length_b [9.4006]
_cell_length_c [9.4006]
_cel... |
mp-1205858 | Hf2Ni7 | data_[Hf4Ni14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.6519]
_cell_length_b [8.1757]
_cell_length_c [6.2510]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1186506 | Pm2ZnIn | data_[Pm8Zn4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5583]
_cell_length_b [7.5583]
_cell_length_c [7.5583]
_c... |
mp-1219055 | SmGdS3 | data_[Sm4Gd4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Gd 1.2000 1.8000 1.0750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4146]
_cell_length_b [3.9825]
_cell_length_c [15.3594]
_ce... |
mp-867196 | LiCd2Pd | data_[Li4Cd8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5744]
_cell_length_b [6.5744]
_cell_length_c [6.5744]
_c... |
mp-20656 | DyMn12 | data_[Dy2Mn24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mn 1.5500 1.4000 0.8775
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.2752]
_cell_length_b [8.2752]
_cell_length_c [4.6973]
_cell_angle_alpha [90.0000]
_cel... |
mp-1222327 | LiNd(MoO4)2 | data_[Li2Nd2Mo4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nd 1.1400 1.8500 1.2765
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.3080]
_cell_length_b [5.308... |
mp-554059 | Sr2UZnO6 | data_[Sr4U2Zn2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
U 1.3800 1.7500 0.9913
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8479]
_cell_length_b [5.91... |
mp-1101824 | PrGaPt | data_[Pr4Ga4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1811]
_cell_length_b [4.5249]
_cell_length_c [7.9580]
_ce... |
mp-1216905 | U2Si3Pd | data_[U2Si3Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7986]
_cell_length_b [4.1369]
_cell_length_c [7.1598]
_cell... |
mp-1103837 | HoZn12 | data_[Ho2Zn24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.7602]
_cell_length_b [8.7602]
_cell_length_c [5.4111]
_cell_angle_alpha [90.0000]
_cel... |
mp-865447 | LuSbPd2 | data_[Lu4Sb4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
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 [6.7507]
_cell_length_b [6.7507]
_cell_length_c [6.7507]
_c... |
mp-1205489 | Er7(TeRh)2 | data_[Er14Te4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Te 2.1000 1.4000 1.2933
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8869]
_cell_length_b [15.6716]
_cell_length_c [9.4715]
_... |
mp-1080077 | UGaPt | data_[U3Ga3Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.0288]
_cell_length_b [7.0288]
_cell_length_c [4.1238]
_cel... |
mp-1183165 | Al2CuPd | data_[Al8Cu4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0584]
_cell_length_b [6.0584]
_cell_length_c [6.0584]
_c... |
mp-504674 | Ba2EuReO6 | data_[Ba8Eu4Re4O24]
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
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5875]
_cell_length_b [8.5... |
mp-10126 | V5SiB2 | data_[V20Si4B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
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 [5.7790]
_cell_length_b [5.7790]
_cell_length_c [10.7698]
_ce... |
mp-3098 | AlCuO2 | data_[Al2Cu2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.8798]
_cell_length_b [2.8798]
_cell_length_c [11.4133]
... |
mp-1185843 | MgAlNi2 | data_[Mg4Al4Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8979]
_cell_length_b [5.8979]
_cell_length_c [5.8979]
_c... |
mp-1219602 | Rb4InSbCl12 | data_[Rb4In1Sb1Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [7.4268]
_cell_length_b [... |
mp-1039319 | Mg2Cd | data_[Mg8Cd4]
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/m]
_cell_length_a [11.8382]
_cell_length_b [3.1873]
_cell_length_c [7.3098]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1187694 | V2OsW | data_[V8Os4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Os 2.2000 1.3000 0.6730
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1022]
_cell_length_b [6.1022]
_cell_length_c [6.1022]
_cell_... |
mp-1184827 | HoTmAl2 | data_[Ho4Tm4Al8]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1196]
_cell_length_b [7.1196]
_cell_length_c [7.1196]
_c... |
mp-1112113 | Cs2RbYBr6 | data_[Cs8Rb4Y4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
Y 1.2200 1.8000 1.0400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.1723]
_cell_length_b [12... |
mp-1221852 | Mn3Cu(SeO3)4 | data_[Mn3Cu1Se4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2412]
_cell_length_b [6.139... |
mp-865027 | Mn3Ge | data_[Mn12Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7638]
_cell_length_b [5.7638]
_cell_length_c [5.7638]
_cell_angle_alpha [90.0000]
_cell... |
mp-1216251 | Yb(InCu)6 | data_[Yb2In12Cu12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.3654]
_cell_length_b [9.3056]
_cell_length_c [9.3362]
_... |
mp-1188462 | Ta5Ga3 | data_[Ta20Ga12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.7798]
_cell_length_b [6.7798]
_cell_length_c [11.8198]
_cell_angle_alpha [90.0000]
_c... |
mp-569898 | Ce3GaBr3 | data_[Ce3Ga1Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.0317]
_cell_length_b [6.0317]
_cell_length_c [6.0317]
_c... |
mp-769653 | Li2TiFe2O5 | data_[Li4Ti2Fe4O10]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1879]
_cell_length_b [5.1898... |
mp-1114503 | Rb3TiF6 | data_[Rb12Ti4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ti 1.5400 1.4000 0.8517
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.3167]
_cell_length_b [9.3167]
_cell_length_c [9.3167]
_c... |
mp-865589 | Lu2IrPd | data_[Lu8Ir4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ir 2.2000 1.3500 0.7650
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7907]
_cell_length_b [6.7907]
_cell_length_c [6.7907]
_c... |
mp-1227297 | Be4FeGe | data_[Be16Fe4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.9755]
_cell_length_b [5.9755]
_cell_length_c [5.9755]
_... |
mp-1206452 | Gd2GeBr2 | data_[Gd2Ge1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ge 2.0100 1.2500 0.7700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2062]
_cell_length_b [4.2062]
_cell_length_c [10.1200]
_... |
mp-1189064 | Ce(ErS2)3 | data_[Ce2Er6S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Er 1.2400 1.7500 1.0300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.0375]
_cell_length_b [3.9667]
_cell_length_c [11.2744]
... |
mp-1102214 | BaCaPb | data_[Ba4Ca4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.9562]
_cell_length_b [5.3947]
_cell_length_c [9.8371]
_ce... |
mp-10969 | CdCN2 | data_[Cd3C3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6105]
_cell_length_b [3.6105]
_cell_length_c [14.6345]
_cell_... |
mp-1222800 | LaGd(ClO)2 | data_[La1Gd1Cl2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Gd 1.2000 1.8000 1.0750
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0459]
_cell_length_b [4.045... |
mp-1221713 | MnFe4Si3 | data_[Mn4Fe16Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6899]
_cell_length_b [11.5968]
_cell_length_c [6.7720]
... |
mp-998753 | RbInCl3 | data_[Rb6In6Cl18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [7.6986]
_cell_length_b [7.6986]
_cell_length_c [18.8516]
_c... |
mp-1226366 | CrFeCoO4 | data_[Cr4Fe4Co4O16]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.0340]
_cell_length_b [6.08... |
mp-1246575 | LuMgTiS4 | data_[Lu4Mg4Ti4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
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 [Imma]
_cell_length_a [7.4206]
_cell_length_b [7.68... |
mp-5927 | Cs2Mn3Te4 | data_[Cs8Mn12Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mn 1.5500 1.4000 0.8775
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.6651]
_cell_length_b [13.0967]
_cell_length_c [15.5999]... |
mp-862700 | AlVOs2 | data_[Al4V4Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
V 1.6300 1.3500 0.7775
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0306]
_cell_length_b [6.0306]
_cell_length_c [6.0306]
_cel... |
mp-1078913 | Rb3CeF6 | data_[Rb12Ce4F24]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.9375]
_cell_length_b [9.9375]
_cell_length_c [9.9375]
_c... |
mp-1207941 | Y6InCo2 | data_[Y24In4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.5136]
_cell_length_b [9.6919]
_cell_length_c [10.0483]
_ce... |
mp-1223757 | In2Bi | data_[In2Bi1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.5729]
_cell_length_b [5.5729]
_cell_length_c [3.3559]
_cell_angle_alpha [90.0000]
_cell_... |
mp-850739 | Fe3OF5 | data_[Fe6O2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8073]
_cell_length_b [5.8072]
_cell_length_c [8.0753]
_cell_an... |
mp-979176 | Tm2AgHg | data_[Tm8Ag4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
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 [7.2710]
_cell_length_b [7.2710]
_cell_length_c [7.2710]
_c... |
mp-25385 | Li(CuO2)2 | data_[Li8Cu16O32]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.3007]
_cell_length_b [8.3007]
_cell_length_c [8.3007]
_c... |
mp-1187110 | Sr3Ca | data_[Sr6Ca2]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.9160]
_cell_length_b [5.9160]
_cell_length_c [11.7730]
_cell_angle_alpha [90.0000]
_cel... |
mp-1222375 | Lu(MnAl)6 | data_[Lu2Mn12Al12]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9255]
_cell_length_b [8.5617]
_cell_length_c [8.7821]
_... |
mp-10010 | Al(CoSi)2 | data_[Al1Co2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.9304]
_cell_length_b [3.9304]
_cell_length_c [4.6313]
_c... |
mp-1103148 | ZrCoGe | data_[Zr4Co4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5690]
_cell_length_b [3.9397]
_cell_length_c [7.2591]
_ce... |
mp-1210068 | NaErCu2F8 | data_[Na2Er2Cu4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [5.4275]
_cell_length_b [5.42... |
mp-1179025 | Ti3(BiO3)4 | data_[Ti6Bi8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5209]
_cell_length_b [5.4096]
_cell_length_c [16.9789]
_ce... |
mp-1106326 | Er2Si4Mo3 | data_[Er4Si8Mo6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Si 1.9000 1.1000 0.5400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8423]
_cell_length_b [6.9066]
_cell_length_c [6.7183]
_... |
mp-13926 | Rb2NaYF6 | data_[Rb8Na4Y4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.0268]
_cell_length_b [9.026... |
mp-754578 | TmGaO3 | data_[Tm4Ga4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5707]
_cell_length_b [7.5997]
_cell_length_c [5.2409]
_cel... |
mp-30950 | Sr3GeO | data_[Sr12Ge4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2046]
_cell_length_b [10.1844]
_cell_length_c [7.1956]
_ce... |
mp-1216653 | UNbC2 | data_[U3Nb3C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Nb 1.6000 1.4500 0.8200
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2796]
_cell_length_b [3.2796]
_cell_length_c [16.7986]
_cell_... |
mp-1228953 | Al2GaN3 | data_[Al8Ga4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.5663]
_cell_length_b [3.1548]
_cell_length_c [7.4710]
_cell... |
mp-754632 | Pr(ReO4)2 | data_[Pr1Re2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.2726]
_cell_length_b [6.2726]
_cell_length_c [6.4495]
_cell_... |
mp-1025122 | LuCu2 | data_[Lu4Cu8]
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
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.2237]
_cell_length_b [6.6715]
_cell_length_c [7.1924]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-756230 | MnPHO5 | data_[Mn2P2H2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [P-1]
_cell_length_a [5.0974]
_cell_length_b [5.1905]
_... |
mp-1094786 | Sr3Mg | data_[Sr3Mg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.6502]
_cell_length_b [5.6502]
_cell_length_c [5.6502]
_cell_angle_alpha [90.0000]
_cell_... |
mp-29331 | KH3F4 | data_[K6H18F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
H 2.2000 0.2500 0.0000
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [7.4798]
_cell_length_b [7.4798]
_cell_length_c [12.4028]
_cell_... |
mp-19258 | Ba2SmMoO6 | data_[Ba8Sm4Mo4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sm 1.1700 1.8500 1.2290
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 [8.6073]
_cell_length_b [8.6... |
mp-1101170 | YLuO3 | data_[Y4Lu4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Lu 1.2700 1.7500 1.0010
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.8906]
_cell_length_b [8.2185]
_cell_length_c [5.6048]
_cell_... |
mp-1185014 | La2MgAl | data_[La8Mg4Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7269]
_cell_length_b [7.7269]
_cell_length_c [7.7269]
_c... |
mp-559851 | CrBiO3 | data_[Cr4Bi4O12]
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 [Pnma]
_cell_length_a [5.6766]
_cell_length_b [7.8408]
_cell_length_c [5.4676]
_cel... |
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