Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-776488 | LiMnOF2 | data_[Li8Mn8O8F16]
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
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7099]
_cell_length_b [8.9457... |
mp-1077262 | TbCu5 | data_[Tb4Cu20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0466]
_cell_length_b [7.0466]
_cell_length_c [7.0466]
_cell_angle_alpha [90.0000]
_cell... |
mp-11454 | Hf2Pd | data_[Hf4Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.2973]
_cell_length_b [3.2973]
_cell_length_c [10.7933]
_cell_angle_alpha [90.0000]
_cel... |
mp-1188951 | U3Cu3Sb4 | data_[U12Cu12Sb16]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.4644]
_cell_length_b [9.4644]
_cell_length_c [9.4644]
_... |
mp-9383 | SrHfN2 | data_[Sr3Hf3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Hf 1.3000 1.5500 0.8500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3567]
_cell_length_b [3.3567]
_cell_length_c [17.7661]
_cel... |
mp-1218376 | Sr2TiMoO6 | data_[Sr8Ti4Mo4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ti 1.5400 1.4000 0.8517
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 [8.0149]
_cell_length_b [8.0... |
mp-1106249 | Ba4Co(ReO6)2 | data_[Ba12Co3Re6O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Co 1.8800 1.3500 0.7683
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 [5.7933]
_cell_length_b [5.7... |
mp-30365 | BeAu | data_[Be4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [4.7236]
_cell_length_b [4.7236]
_cell_length_c [4.7236]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1094403 | YMg2 | data_[Y4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3526]
_cell_length_b [17.2379]
_cell_length_c [5.4668]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1079666 | Ba2CdAs2 | data_[Ba8Cd4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
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 [4.6562]
_cell_length_b [17.6593]
_cell_length_c [8.1722]
... |
mp-2054 | TbHg | data_[Tb1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7431]
_cell_length_b [3.7431]
_cell_length_c [3.7431]
_cell_angle_alpha [90.0000]
_cell_... |
mp-861908 | TaTiRu2 | data_[Ta4Ti4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ti 1.5400 1.4000 0.8517
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2665]
_cell_length_b [6.2665]
_cell_length_c [6.2665]
_c... |
mp-1077722 | ScZnPt | data_[Sc4Zn4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2935]
_cell_length_b [9.2603]
_cell_length_c [5.3021]
_ce... |
mp-4227 | BaVS3 | data_[Ba2V2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.7468]
_cell_length_b [6.7468]
_cell_length_c [5.7287]
_ce... |
mp-1222805 | LaMnFeSi2 | data_[La2Mn2Fe2Si4]
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
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0230]
_cell_length_b [4.... |
mp-1217200 | Ti2Mn3V | data_[Ti8Mn12V4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.8775
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.8985]
_cell_length_b [4.8414]
_cell_length_c [8.2580]
_cel... |
mp-25465 | LiCoPO4F | data_[Li2Co2P2O8F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.... |
mp-1216694 | TmAlFe | data_[Tm8Al8Fe8]
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
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.6075]
_cell_length_b [5.3445]
_cell_length_c [9.0764]
_ce... |
mp-1429 | SmCo5 | data_[Sm1Co5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9680]
_cell_length_b [4.9680]
_cell_length_c [3.9629]
_cell_angle_alpha [90.0000]
_cell... |
mp-1104525 | NdAu6 | data_[Nd4Au24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.9220]
_cell_length_b [7.8814]
_cell_length_c [9.3182]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1225050 | Er2BPt6 | data_[Er2B1Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3012]
_cell_length_b [4.3012]
_cell_length_c [8.0954]
_ce... |
mp-1106082 | LiCeSi2 | data_[Li4Ce4Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6671]
_cell_length_b [3.8703]
_cell_length_c [10.4803]
_c... |
mp-1029331 | LiHf2N3 | data_[Li4Hf8N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Hf 1.3000 1.5500 0.8500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [11.3219]
_cell_length_b [6.6375]
_cell_length_c [4.3542]
_ce... |
mp-976064 | Ho6CoTe2 | data_[Ho6Co1Te2]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.3721]
_cell_length_b [8.3721]
_cell_length_c [3.9253]
_c... |
mp-1216440 | V6GaSi | data_[V6Ga1Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ga 1.8100 1.3000 0.7600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pm-3]
_cell_length_a [4.7470]
_cell_length_b [4.7470]
_cell_length_c [4.7470]
_cell... |
mp-1079168 | ThGaPt | data_[Th3Ga3Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
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 [7.3824]
_cell_length_b [7.3824]
_cell_length_c [4.1036]
_c... |
mp-1018791 | LiY(CuP)2 | data_[Li1Y1Cu2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.9795]
_cell_length_b [3.9795... |
mp-18655 | Ba(SiRh)2 | data_[Ba4Si8Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9833]
_cell_length_b [6.7746]
_cell_length_c [7.7491]
_... |
mp-1216843 | V(CrS2)2 | data_[V2Cr4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.3864]
_cell_length_b [3.3753]
_cell_length_c [5.8800]
_cell_an... |
mp-656615 | Rb | data_[Rb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.1123]
_cell_length_b [8.3311]
_cell_length_c [12.0181]
_cell_angle_alpha [108.3721]
_cell_angle_beta [107.9095]
_cell_angle... |
mp-7562 | TaTl3S4 | data_[Ta2Tl6S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [7.8412]
_cell_length_b [7.8412]
_cell_length_c [7.8412]
_cel... |
mp-7898 | Rb3As | data_[Rb6As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.1826]
_cell_length_b [6.1826]
_cell_length_c [10.8914]
_cell_angle_alpha [90.0000]
_c... |
mp-973841 | LiHo2Al | data_[Li4Ho8Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2529]
_cell_length_b [7.2529]
_cell_length_c [7.2529]
_c... |
mp-258 | ZrV2 | data_[Zr8V16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.3603]
_cell_length_b [7.3603]
_cell_length_c [7.3603]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-11944 | LiYbGe2 | data_[Li4Yb4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Yb 1.1000 1.7500 1.0840
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.9617]
_cell_length_b [3.9177]
_cell_length_c [10.6151]
_c... |
mp-13356 | Ba2SrTeO6 | data_[Ba6Sr3Te3O18]
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
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.1889]
_cell_length_b [6.188... |
mp-1185338 | LiCu3 | data_[Li2Cu6]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.1241]
_cell_length_b [5.1241]
_cell_length_c [4.1987]
_cell_angle_alpha [90.0000]
_ce... |
mp-1184163 | ErCdAu2 | data_[Er4Cd4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9563]
_cell_length_b [6.9563]
_cell_length_c [6.9563]
_c... |
mp-1227375 | Be4CrMo | data_[Be8Cr2Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cr 1.6600 1.4000 0.9400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3439]
_cell_length_b [4.3439]
_cell_length_c [7.1031]
_c... |
mp-1205464 | Gd6CoCl10 | data_[Gd6Co1Cl10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Co 1.8800 1.3500 0.7683
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2279]
_cell_length_b [8.8520]
_cell_length_c [8.9770]
_ce... |
mp-1225826 | Cu2B3Ir4 | data_[Cu4B6Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [2.8198]
_cell_length_b [2.8564]
_cell_length_c [25.7348]
_cel... |
mp-1094466 | Mg3Zr | data_[Mg6Zr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.3518]
_cell_length_b [6.3518]
_cell_length_c [5.0369]
_cell_angle_alpha [90.0000]
_ce... |
mp-16519 | UAlNi4 | data_[U4Al4Ni16]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8839]
_cell_length_b [6.8839]
_cell_length_c [6.8839]
_ce... |
mp-1223190 | La3Pr(CoP)8 | data_[La3Pr1Co8P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7541]
_cell_length_b [3.7... |
mp-1070 | CdSe | data_[Cd2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.3940]
_cell_length_b [4.3940]
_cell_length_c [7.1706]
_cell_angle_alpha [90.0000]
_cell... |
mp-1215360 | Zr5Co4Ni | data_[Zr5Co4Ni1]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2208]
_cell_length_b [3.2208]
_cell_length_c [16.0609]
... |
mp-1039273 | CaMg5 | data_[Ca1Mg5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [5.7061]
_cell_length_b [5.7061]
_cell_length_c [5.3989]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1225218 | Er(Fe5Mo)2 | data_[Er2Fe20Mo4]
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
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7400]
_cell_length_b [8.5207]
_cell_length_c [8.5481]
_c... |
mp-1209850 | Ni5B2SbO10 | data_[Ni5B2Sb1O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.4619]
_cell_length_b [3.1437... |
mp-1212333 | Ho2MgTiO6 | data_[Ho4Mg2Ti2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
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 [5.3187]
_cell_length_b [5.... |
mp-1079597 | ScGeRh | data_[Sc3Ge3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.7355]
_cell_length_b [6.7355]
_cell_length_c [3.8334]
_c... |
mp-542297 | Eu2SO6 | data_[Eu8S4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.8587]
_cell_length_b [4.2647]
_cell_length_c [8.2910]
_cell... |
mp-3951 | Ti2CuS4 | data_[Ti16Cu8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.0149]
_cell_length_b [10.0149]
_cell_length_c [10.0149]... |
mp-975834 | MoRu3 | data_[Mo2Ru6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5151]
_cell_length_b [5.5151]
_cell_length_c [4.3728]
_cell_angle_alpha [90.0000]
_ce... |
mp-1184257 | Ga3Ag | data_[Ga6Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1987]
_cell_length_b [4.1987]
_cell_length_c [8.4641]
_cell_angle_alpha [90.0000]
_cell... |
mp-1103857 | U(Mn2P)2 | data_[U2Mn8P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Mn 1.5500 1.4000 0.8775
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.0243]
_cell_length_b [7.0243]
_cell_length_c [3.6187]
_ce... |
mp-1113882 | Rb2CuRuF6 | data_[Rb8Cu4Ru4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cu 1.9000 1.3500 0.8200
Ru 2.2000 1.3000 0.6610
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5129]
_cell_length_b [8.5... |
mp-29806 | Cs2PdI6 | data_[Cs4Pd2I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pd 2.2000 1.4000 0.8462
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [9.2304]
_cell_length_b [9.2304]
_cell_length_c [9.3320]
_c... |
mp-2182 | SnAs | data_[Sn4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8093]
_cell_length_b [5.8093]
_cell_length_c [5.8093]
_cell_angle_alpha [90.0000]
_cell_... |
mp-867157 | SmCdHg2 | data_[Sm4Cd4Hg8]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3043]
_cell_length_b [7.3043]
_cell_length_c [7.3043]
_c... |
mp-20479 | SrIn4Ni | data_[Sr4In16Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5593]
_cell_length_b [17.2112]
_cell_length_c [7.4316]
_... |
mp-676143 | Ce5AgSe8 | data_[Ce10Ag2Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.8479]
_cell_length_b [8.8479]
_cell_length_c [9.0240]
_c... |
mp-753401 | Sc2TiO5 | data_[Sc8Ti4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8800]
_cell_length_b [10.2338]
_cell_length_c [10.3506]
... |
mp-7187 | TiAlNi2 | data_[Ti4Al4Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
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 [5.8886]
_cell_length_b [5.8886]
_cell_length_c [5.8886]
_c... |
mp-560023 | NiSnF6 | data_[Ni3Sn3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.2138]
_cell_length_b [5.2138]
_cell_length_c [13.9756]
_cel... |
mp-1223303 | KTi3FeO8 | data_[K2Ti6Fe2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
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 [Cm]
_cell_length_a [14.3613]
_cell_length_b [3.0063]... |
mp-1215707 | Zr10CrSb5 | data_[Zr20Cr2Sb10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cr 1.6600 1.4000 0.9400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [11.2325]
_cell_length_b [11.2325]
_cell_length_c [5.5834]... |
mp-14411 | K4GeO4 | data_[K8Ge2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4940]
_cell_length_b [6.5393]
_cell_length_c [9.4296]
_cell_an... |
mp-1114523 | Rb2InBiCl6 | data_[Rb8In4Bi4Cl24]
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
Bi 2.0200 1.6000 1.0350
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.4099]
_cell_length_b [... |
mp-1224407 | Ge2Sb2Te5 | data_[Ge4Sb4Te10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.6783]
_cell_length_b [6.1320]
_cell_length_c [9.6722]
_ce... |
mp-1219009 | Sn4Te5Pb | data_[Sn8Te10Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5302]
_cell_length_b [4.5302]
_cell_length_c [32.6517]... |
mp-864625 | Ho2IrRh | data_[Ho8Ir4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8306]
_cell_length_b [6.8306]
_cell_length_c [6.8306]
_c... |
mp-1174775 | Li6Mn3CoO10 | data_[Li6Mn3Co1O10]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1630]
_cell_length_b [5.9223... |
mp-973940 | LiCd3 | data_[Li4Cd12]
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
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8985]
_cell_length_b [6.8985]
_cell_length_c [6.8985]
_cell_angle_alpha [90.0000]
_cell... |
mp-973433 | LuScRu2 | data_[Lu4Sc4Ru8]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5482]
_cell_length_b [6.5482]
_cell_length_c [6.5482]
_c... |
mp-1105225 | Sc2MnNiO6 | data_[Sc4Mn2Ni2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
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 [P2_1/c]
_cell_length_a [5.0527]
_cell_length_b [5.... |
mp-1187415 | Tc3Ge | data_[Tc6Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4741]
_cell_length_b [5.4741]
_cell_length_c [4.4787]
_cell_angle_alpha [90.0000]
_ce... |
mp-1219171 | Sm4Si9Ni7 | data_[Sm8Si18Ni14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.0699]
_cell_length_b [11.3992]
_cell_length_c [5.6597]
_... |
mp-1183109 | Ac3Pm | data_[Ac6Pm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pm 1.1300 1.8500 1.1100
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.8389]
_cell_length_b [7.8389]
_cell_length_c [6.4165]
_cell_angle_alpha [90.0000]
_ce... |
mp-1114379 | Rb3TlF6 | data_[Rb12Tl4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.6913]
_cell_length_b [9.6913]
_cell_length_c [9.6913]
_c... |
mp-1105955 | Er3Cu3Sb4 | data_[Er12Cu12Sb16]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.5430]
_cell_length_b [9.5430]
_cell_length_c [9.5430]... |
mp-1183144 | Al | data_[Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.8571]
_cell_length_b [2.8571]
_cell_length_c [9.2970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
mp-1221076 | NaCaScZn(SiO3)4 | data_[Na2Ca2Sc2Zn2Si8O24]
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
Sc 1.3600 1.6000 0.8850
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_gr... |
mp-11361 | MgCuSn | data_[Mg4Cu4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2368]
_cell_length_b [6.2368]
_cell_length_c [6.2368]
_c... |
mp-30084 | Al2FeO4 | data_[Al16Fe8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.2478]
_cell_length_b [8.2478]
_cell_length_c [8.2478]
_c... |
mp-1184174 | Dy3Lu | data_[Dy6Lu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.1847]
_cell_length_b [7.1847]
_cell_length_c [5.6526]
_cell_angle_alpha [90.0000]
_ce... |
mp-1185446 | Lu2TlIn | data_[Lu8Tl4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4488]
_cell_length_b [7.4488]
_cell_length_c [7.4488]
_c... |
mp-866162 | YMgAg2 | data_[Y4Mg4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0214]
_cell_length_b [7.0214]
_cell_length_c [7.0214]
_cel... |
mp-9584 | Nd(BIr)4 | data_[Nd2B8Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [7.7027]
_cell_length_b [7.7027]
_cell_length_c [3.9945]
_ce... |
mp-567347 | Li2AgSn | data_[Li8Ag4Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5956]
_cell_length_b [6.5956]
_cell_length_c [6.5956]
_c... |
mp-760178 | 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 [P2_1/c]
_cell_length_a [4.6021]
_cell_length_b [4.8274]
_cell_length_c [12.8404]
_cell... |
mp-999502 | MoPt | data_[Mo2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [4.5061]
_cell_length_b [2.7597]
_cell_length_c [4.9700]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1216128 | Y3Ga7Cu4 | data_[Y6Ga14Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5060]
_cell_length_b [4.1924]
_cell_length_c [9.4189]
_ce... |
mp-2647 | Al2Au | data_[Al8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0634]
_cell_length_b [6.0634]
_cell_length_c [6.0634]
_cell_angle_alpha [90.0000]
_cell_... |
mp-754353 | Zr3N4 | data_[Zr9N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4653]
_cell_length_b [3.4653]
_cell_length_c [25.4771]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1207776 | Y3Co6Sn5 | data_[Y6Co12Sn10]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3106]
_cell_length_b [9.6747]
_cell_length_c [12.3335]
_c... |
mp-567666 | Ba3BiN | data_[Ba6Bi2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Bi 2.0200 1.6000 1.0350
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.7805]
_cell_length_b [7.7805]
_cell_length_c [6.8039]
_... |
mp-5588 | BaSiF6 | data_[Ba3Si3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Si 1.9000 1.1000 0.5400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3332]
_cell_length_b [7.3332]
_cell_length_c [7.1018]
_cel... |
mp-569298 | Ca(CoAs)2 | data_[Ca2Co4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Co 1.8800 1.3500 0.7683
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0089]
_cell_length_b [4.0089]
_cell_length_c [10.3792]
... |
mp-1288155 | Ba2MnNbO6 | data_[Ba4Mn2Nb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mn 1.5500 1.4000 0.8775
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.6828]
_cell_length_b [5.... |
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