Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-6265 | Ba2TbSbO6 | data_[Ba8Tb4Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tb 1.1000 1.7500 0.9815
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5448]
_cell_length_b [8.5... |
mp-1221730 | Mn7Al4V5 | data_[Mn21Al12V15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1353]
_cell_length_b [4.1353]
_cell_length_c [40.4905]
_c... |
mp-974920 | Na | data_[Na2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6718]
_cell_length_b [3.6718]
_cell_length_c [5.4967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
mp-1212441 | Hf3Ni3Sb4 | data_[Hf12Ni12Sb16]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.0846]
_cell_length_b [9.0846]
_cell_length_c [9.0846]... |
mp-626843 | Ni(HO)2 | data_[Ni2H4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.4829]
_cell_length_b [3.1514]
_cell_length_c [7.6343]
_cell_ang... |
mp-862680 | DyMgAg2 | data_[Dy4Mg4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0161]
_cell_length_b [7.0161]
_cell_length_c [7.0161]
_c... |
mp-1023508 | CaMg15 | data_[Ca1Mg15]
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-6m2]
_cell_length_a [6.5387]
_cell_length_b [6.5387]
_cell_length_c [10.3656]
_cell_angle_alpha [90.0000]
_cel... |
mp-1179889 | NaCoCu3Se4 | data_[Na1Co1Cu3Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [5.8263]
_cell_length_b [5.... |
mp-1228130 | Al8BC5 | data_[Al24B3C15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3884]
_cell_length_b [3.3884]
_cell_length_c [50.4915]
_cel... |
mp-557610 | K2MnF4 | data_[K4Mn2F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mn 1.5500 1.4000 0.8775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2502]
_cell_length_b [4.2502]
_cell_length_c [13.4596]
_cel... |
mp-1186932 | Sc2AgPt | data_[Sc8Ag4Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7228]
_cell_length_b [6.7228]
_cell_length_c [6.7228]
_c... |
mp-1207022 | K(PRu)2 | data_[K2P4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0557]
_cell_length_b [4.0557]
_cell_length_c [12.6905]
_cel... |
mp-571541 | Sr8In4Cu3N5 | data_[Sr16In8Cu6N10]
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
Cu 1.9000 1.3500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8598]
_cell_length_b [12.... |
mp-1517349 | SrEuFeWO6 | data_[Sr4Eu4Fe4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Eu 1.2000 1.8500 1.1985
Fe 1.8300 1.4000 0.8525
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_... |
mp-569687 | CuHgSeCl | data_[Cu4Hg4Se4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Hg 2.0000 1.5000 1.2450
Se 2.5500 1.1500 1.0133
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.1740]
_cell_length_b [13.... |
mp-862545 | LiTm2Tc | data_[Li4Tm8Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8924]
_cell_length_b [6.8924]
_cell_length_c [6.8924]
_c... |
mp-1209940 | NaSmCu2F8 | data_[Na2Sm2Cu4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [5.4956]
_cell_length_b [5.49... |
mp-9235 | LaNiSb | data_[La2Ni2Sb2]
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 [P6_3/mmc]
_cell_length_a [4.4343]
_cell_length_b [4.4343]
_cell_length_c [8.3938]... |
mp-1178924 | Tm(BIr)4 | data_[Tm2B8Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [5.3949]
_cell_length_b [5.3949]
_cell_length_c [7.4450]
_... |
mp-1218590 | SrAlIn | data_[Sr4Al4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4908]
_cell_length_b [4.9677]
_cell_length_c [8.0349]
_c... |
mp-1228112 | BaLaCoIrO6 | data_[Ba1La1Co1Ir1O6]
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
Co 1.8800 1.3500 0.7683
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a ... |
mp-1222266 | Lu3S4 | data_[Lu6S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.3709]
_cell_length_b [5.3709]
_cell_length_c [10.6674]
_cell_angle_alpha [90.0000]
_cell_... |
mp-15964 | Hf3Sb | data_[Hf24Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [11.2415]
_cell_length_b [11.2415]
_cell_length_c [5.6951]
_cell_angle_alpha [90.0000]
_cell... |
mp-1104184 | Pr3Pd4 | data_[Pr18Pd24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.8463]
_cell_length_b [13.8463]
_cell_length_c [5.8867]
_cell_angle_alpha [90.0000]
_cel... |
mp-2567 | V3Si | data_[V6Si2]
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
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [4.7024]
_cell_length_b [4.7024]
_cell_length_c [4.7024]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-3352 | ErSiPd2 | data_[Er4Si4Pd8]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2848]
_cell_length_b [7.0025]
_cell_length_c [5.5090]
_ce... |
mp-22268 | ZrPRu | data_[Zr4P4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.4766]
_cell_length_b [3.8968]
_cell_length_c [7.3784]
_cell... |
mp-1188800 | Sc3P | data_[Sc12P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7982]
_cell_length_b [8.4092]
_cell_length_c [5.7666]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1189157 | Mn5SiB2 | data_[Mn20Si4B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
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 [5.5586]
_cell_length_b [5.5586]
_cell_length_c [10.3294]
_... |
mp-30555 | TaGaCo2 | data_[Ta4Ga4Co8]
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
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9601]
_cell_length_b [5.9601]
_cell_length_c [5.9601]
_c... |
mp-559594 | LaGaSe2O | data_[La4Ga4Se8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [6.0111]
_cell_length_b [12.... |
mp-675562 | K2ThF6 | data_[K8Th4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Th 1.3000 1.8000 1.0800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.4270]
_cell_length_b [12.7987]
_cell_length_c [7.2828]
_cell... |
mp-1183508 | CaEuCd2 | data_[Ca4Eu4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Eu 1.2000 1.8500 1.1985
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8430]
_cell_length_b [7.8430]
_cell_length_c [7.8430]
_c... |
mp-1159 | Zr2Fe | data_[Zr8Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.2776]
_cell_length_b [6.2776]
_cell_length_c [5.7366]
_cell_angle_alpha [90.0000]
_cell... |
mp-20424 | MgCo3C | data_[Mg1Co3C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Co 1.8800 1.3500 0.7683
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7779]
_cell_length_b [3.7779]
_cell_length_c [3.7779]
_cel... |
mp-1105061 | Yb3Ga8Ir3 | data_[Yb6Ga16Ir6]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2395]
_cell_length_b [9.7206]
_cell_length_c [12.5964]
_... |
mp-1190291 | Tm(CoB)4 | data_[Tm2Co8B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [4.9998]
_cell_length_b [4.9998]
_cell_length_c [6.9583]
_... |
mp-756893 | MnV4CoO12 | data_[Mn2V8Co2O24]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.1535]
_cell_length_b [9.1624]... |
mp-1183528 | Ca(GePt)2 | data_[Ca2Ge4Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [4.2442]
_cell_length_b [4.3016]
_cell_length_c [10.4119]
_c... |
mp-1212093 | HoFe6(Sn2Ge)2 | data_[Ho1Fe6Sn4Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Fe 1.8300 1.4000 0.8525
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.2955]
_cell_length_b [5... |
mp-1105560 | YCr4(CuO4)3 | data_[Y2Cr8Cu6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
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 [Im-3]
_cell_length_a [7.3891]
_cell_length_b [7.3891... |
mp-28233 | MnCl2 | data_[Mn3Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7167]
_cell_length_b [3.7167]
_cell_length_c [19.6031]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1523116 | KSrCeBiO6 | data_[K4Sr4Ce4Bi4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sr 0.9500 2.0000 1.3200
Ce 1.1200 1.8500 1.0800
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_... |
mp-1218973 | SmZnAgAs2 | data_[Sm1Zn1Ag1As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2985]
_cell_length_b [4.2... |
mp-4990 | MnSnRh2 | data_[Mn4Sn4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3069]
_cell_length_b [6.3069]
_cell_length_c [6.3069]
_c... |
mp-758690 | Li4Mn2Ni3O10 | data_[Li4Mn2Ni3O10]
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 [5.0425]
_cell_length_b [5.094... |
mp-1078341 | EuNbO3 | data_[Eu4Nb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.7430]
_cell_length_b [8.0716]
_cell_length_c [5.7832]
_cel... |
mp-29244 | Cd2P3I | data_[Cd8P12I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
P 2.1900 1.0000 0.5500
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3886]
_cell_length_b [9.4242]
_cell_length_c [7.6421]
_cell_... |
mvc-3081 | ZnMoF5 | data_[Zn4Mo4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Mo 2.1600 1.4500 0.7750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8472]
_cell_length_b [6.7026]
_cell_length_c [7.9199]
_cel... |
mp-1080680 | YbCdSn | data_[Yb3Cd3Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6702]
_cell_length_b [7.6702]
_cell_length_c [4.6872]
_c... |
mp-753963 | CrOF | data_[Cr4O4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.1234]
_cell_length_b [4.6005]
_cell_length_c [5.6261]
_cell... |
mp-978995 | TmMnRh2 | data_[Tm4Mn4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mn 1.5500 1.4000 0.8775
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4493]
_cell_length_b [6.4493]
_cell_length_c [6.4493]
_c... |
mp-862629 | ScRh2Pb | data_[Sc4Rh8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5611]
_cell_length_b [6.5611]
_cell_length_c [6.5611]
_c... |
mp-753495 | Sb3O7F | data_[Sb6O14F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.4893]
_cell_length_b [10.9973]
_cell_length_c [3.8349]
_cell... |
mp-10289 | Ca(BC)2 | data_[Ca4B8C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.3656]
_cell_length_b [5.3656]
_cell_length_c [7.4401]
_cell... |
mp-1227288 | Ce2In3Cu | data_[Ce2In3Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6889]
_cell_length_b [4.8444]
_cell_length_c [8.4135]
_ce... |
mp-569630 | NdOs2 | data_[Nd4Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.3774]
_cell_length_b [5.3774]
_cell_length_c [9.1165]
_cell_angle_alpha [90.0000]
_ce... |
mp-1219181 | Sm2Si3Pd | data_[Sm4Si6Pd2]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9944]
_cell_length_b [4.2340]
_cell_length_c [14.3968]
_c... |
mp-1112133 | Cs2RbAlI6 | data_[Cs8Rb4Al4I24]
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
Al 1.6100 1.2500 0.6750
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.5574]
_cell_length_b [12... |
mp-44 | U | data_[U4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.8086]
_cell_length_b [5.7975]
_cell_length_c [4.9096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_ga... |
mp-1206039 | Rb2SnF6 | data_[Rb8Sn4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sn 1.9600 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.0376]
_cell_length_b [9.0376]
_cell_length_c [9.0376]
_ce... |
mp-1079757 | La2InNi2 | data_[La4In2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.5897]
_cell_length_b [7.8243]
_cell_length_c [3.8191]
_ce... |
mp-12263 | LiAuF4 | data_[Li4Au4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Au 2.5400 1.3500 1.0700
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1109]
_cell_length_b [6.4160]
_cell_length_c [5.0109]
_ce... |
mp-1021492 | Cd4SF6 | data_[Cd12S3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
S 2.5800 1.0000 0.8800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9033]
_cell_length_b [3.9033]
_cell_length_c [37.8370]
_cel... |
mp-19033 | WO3 | data_[W4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4148]
_cell_length_b [5.3590]
_cell_length_c [7.7249]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-6660 | BaNaBO3 | data_[Ba4Na4B4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6917]
_cell_length_b [5.6343... |
mp-555726 | NaClO3 | data_[Na4Cl4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [7.2400]
_cell_length_b [7.2400]
_cell_length_c [7.2400]
_ce... |
mp-675902 | YCuSe2 | data_[Y1Cu1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.0971]
_cell_length_b [4.0971]
_cell_length_c [6.4509]
_cell... |
mp-1029275 | SrZrN2 | data_[Sr2Zr2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0873]
_cell_length_b [4.0873]
_cell_length_c [8.3406]
_ce... |
mp-1228868 | AlNi | data_[Al1Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.7520]
_cell_length_b [2.7520]
_cell_length_c [3.0994]
_cell_angle_alpha [90.0000]
_cell... |
mp-35909 | AgBiI4 | data_[Ag4Bi4I16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Bi 2.0200 1.6000 1.0350
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.8048]
_cell_length_b [8.9283]
_cell_length_c [12.8731]
_ce... |
mp-28864 | Y6IrI10 | data_[Y6Ir1I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ir 2.2000 1.3500 0.7650
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7571]
_cell_length_b [9.7115]
_cell_length_c [9.8172]
_cell_a... |
mp-255 | NaHg | data_[Na8Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.3006]
_cell_length_b [10.8663]
_cell_length_c [5.3961]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1223121 | La2SbO2 | data_[La4Sb2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.0779]
_cell_length_b [14.0131]
_cell_length_c [4.0647]
_cel... |
mp-2520 | TmSb | data_[Tm4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1371]
_cell_length_b [6.1371]
_cell_length_c [6.1371]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1187691 | YbCeCd2 | data_[Yb4Ce4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ce 1.1200 1.8500 1.0800
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7111]
_cell_length_b [7.7111]
_cell_length_c [7.7111]
_c... |
mp-863697 | LiPm2Si | data_[Li4Pm8Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pm 1.1300 1.8500 1.1100
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2255]
_cell_length_b [7.2255]
_cell_length_c [7.2255]
_c... |
mp-1183490 | Ca(CuAs)2 | data_[Ca2Cu4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1049]
_cell_length_b [4.1049]
_cell_length_c [10.7891]
... |
mp-865925 | LiZrIr2 | data_[Li4Zr4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zr 1.3300 1.5500 0.8600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3048]
_cell_length_b [6.3048]
_cell_length_c [6.3048]
_c... |
mvc-14383 | CaCr2F12 | data_[Ca1Cr2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4852]
_cell_length_b [5.6498]
_cell_length_c [9.4666]
_cell... |
mp-22628 | CsNO3 | data_[Cs2N2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.7237]
_cell_length_b [6.2528]
_cell_length_c [5.2107]
_cell_a... |
mp-9565 | Ca(MgSb)2 | data_[Ca1Mg2Sb2]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6931]
_cell_length_b [4.6931]
_cell_length_c [7.5863]
_c... |
mp-569454 | CdHgAsBr | data_[Cd4Hg4As4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
As 2.1800 1.1500 0.6600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [11.0642]
_cell_length_b [4.... |
mp-1226865 | Ce2Si2NiPt | data_[Ce4Si4Ni2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9807]
_cell_length_b [4.1... |
mp-28377 | CsGeI3 | data_[Cs3Ge3I9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ge 2.0100 1.2500 0.7700
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.5088]
_cell_length_b [8.5088]
_cell_length_c [10.8442]
_cell... |
mp-1210749 | Lu7(TeRu)2 | data_[Lu14Te4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Te 2.1000 1.4000 1.2933
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8791]
_cell_length_b [15.4358]
_cell_length_c [9.2017]
_... |
mp-1207811 | Y6Co2Sn | data_[Y24Co8Sn4]
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 [9.5482]
_cell_length_b [9.6875]
_cell_length_c [9.9793]
_cel... |
mp-1188974 | Ce3Os | data_[Ce12Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0736]
_cell_length_b [9.6894]
_cell_length_c [6.1738]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1220498 | Nb8Co2Sb4Pd | data_[Nb16Co4Sb8Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [10.5748]
_cell_length_b [... |
mp-1542250 | Mg(MoO2)2 | data_[Mg6Mo12O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.4446]
_cell_length_b [6.4446]
_cell_length_c [14.8734]
_c... |
mp-756458 | ErAlO3 | data_[Er4Al4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.3797]
_cell_length_b [7.4098]
_cell_length_c [5.1764]
_cel... |
mp-1217561 | TbCoC | data_[Tb1Co1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Co 1.8800 1.3500 0.7683
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5658]
_cell_length_b [3.5658]
_cell_length_c [3.6054]
_ce... |
mp-865536 | YbZrRh2 | data_[Yb4Zr4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Zr 1.3300 1.5500 0.8600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6178]
_cell_length_b [6.6178]
_cell_length_c [6.6178]
_c... |
mp-1183595 | CaYbTl2 | data_[Ca4Yb4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Yb 1.1000 1.7500 1.0840
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7732]
_cell_length_b [7.7732]
_cell_length_c [7.7732]
_c... |
mp-771233 | Li5Fe2Cu3O10 | data_[Li5Fe2Cu3O10]
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
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0700]
_cell_length_b [5.531... |
mp-13407 | CeAgPb | data_[Ce2Ag2Pb2]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.9384]
_cell_length_b [4.9384]
_cell_length_c [7.6166]
_... |
mp-24161 | TiH2 | data_[Ti4H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.4243]
_cell_length_b [4.4243]
_cell_length_c [4.4243]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-753339 | LiV2OF5 | data_[Li2V4O2F10]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [4.7246]
_cell_length_b [4.7247]
_c... |
mp-1095074 | Ba2GdMoO6 | data_[Ba8Gd4Mo4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Gd 1.2000 1.8000 1.0750
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 [8.5631]
_cell_length_b [8.5... |
mp-1187894 | Yb2CuPd | data_[Yb8Cu4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
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 [6.9271]
_cell_length_b [6.9271]
_cell_length_c [6.9271]
_c... |
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