Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-755368 | Zr2N2O | data_[Zr12N12O6]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8352]
_cell_length_b [3.3191]
_cell_length_c [8.2992]
_cel... |
mp-1079797 | SmCdCu | data_[Sm3Cd3Cu3]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6459]
_cell_length_b [7.6459]
_cell_length_c [3.9650]
_c... |
mp-1214117 | Ca2TmRuO6 | data_[Ca4Tm2Ru2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tm 1.2500 1.7500 1.0950
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5578]
_cell_length_b [5.... |
mp-1186088 | Na3Tl | data_[Na6Tl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.9969]
_cell_length_b [6.9969]
_cell_length_c [5.8525]
_cell_angle_alpha [90.0000]
_ce... |
mp-1226129 | Eu(GaGe2)2 | data_[Eu4Ga8Ge16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3888]
_cell_length_b [11.1057]
_cell_length_c [13.0269]
... |
mp-13082 | Mn2CoSi | data_[Mn8Co4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.6266]
_cell_length_b [5.6266]
_cell_length_c [5.6266]
_c... |
mp-30873 | Th5Sn3 | data_[Th10Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.4381]
_cell_length_b [9.4381]
_cell_length_c [6.4614]
_cell_angle_alpha [90.0000]
_c... |
mp-1104199 | Nd3Pd4 | data_[Nd18Pd24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.7640]
_cell_length_b [13.7640]
_cell_length_c [5.8616]
_cell_angle_alpha [90.0000]
_cel... |
mp-1223733 | K3SnSb3 | data_[K6Sn2Sb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sn 1.9600 1.4500 0.8300
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [17.8746]
_cell_length_b [4.4172]
_cell_length_c [7.0430]
_cell_... |
mp-28910 | CrS2 | data_[Cr2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7336]
_cell_length_b [3.3197]
_cell_length_c [10.7119]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1235059 | LiO8 | data_[Li2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1929]
_cell_length_b [6.1172]
_cell_length_c [5.0574]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-765781 | LiVF5 | data_[Li4V4F20]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3238]
_cell_length_b [6.4239]
_cell_length_c [6.7951]
_cell_... |
mp-1025143 | DyB2Rh3 | data_[Dy1B2Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4433]
_cell_length_b [5.4433]
_cell_length_c [3.1282]
_ce... |
mp-1246569 | Mg2RuN3 | data_[Mg8Ru4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ru 2.2000 1.3000 0.6610
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.1829]
_cell_length_b [5.8610]
_cell_length_c [5.2103]
_... |
mp-753720 | Li3BiS3 | data_[Li18Bi6S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.1318]
_cell_length_b [7.1318]
_cell_length_c [19.6940]
_ce... |
mp-1221602 | MnZn(FeO2)4 | data_[Mn4Zn4Fe16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.5652]
_cell_length_b [8.... |
mp-21363 | TbFeSi | data_[Tb2Fe2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0409]
_cell_length_b [4.0409]
_cell_length_c [6.5799]
_... |
mp-1187757 | Y2RuAu | data_[Y8Ru4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ru 2.2000 1.3000 0.6610
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0276]
_cell_length_b [7.0276]
_cell_length_c [7.0276]
_cel... |
mp-1112176 | CsTlCl3 | data_[Cs8Tl8Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.3456]
_cell_length_b [11.3456]
_cell_length_c [11.3456... |
mp-1184982 | Li2BiAu | data_[Li8Bi4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Bi 2.0200 1.6000 1.0350
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6678]
_cell_length_b [6.6678]
_cell_length_c [6.6678]
_c... |
mp-676156 | Gd5AgS8 | data_[Gd10Ag2S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.3658]
_cell_length_b [8.3658]
_cell_length_c [8.3851]
_cel... |
mp-30809 | Th7Ni3 | data_[Th14Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [9.8264]
_cell_length_b [9.8264]
_cell_length_c [6.2146]
_cell_angle_alpha [90.0000]
_cel... |
mp-1226363 | Cr2S2BrCl | data_[Cr2S2Br1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.5036]
_cell_length_b [4.750... |
mp-622848 | Sm2Ga9Ru5 | data_[Sm4Ga18Ru10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.2189]
_cell_length_b [6.2189]
_cell_length_c [13.6636... |
mp-1094725 | MgSn3 | data_[Mg1Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.3367]
_cell_length_b [3.3367]
_cell_length_c [10.8782]
_cell_angle_alpha [90.0000]
_cell... |
mp-1007900 | EuTlS2 | data_[Eu3Tl3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1920]
_cell_length_b [4.1920]
_cell_length_c [22.0059]
_cel... |
mp-1189611 | Y2Co3Ge5 | data_[Y8Co12Ge20]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1344]
_cell_length_b [11.7610]
_cell_length_c [5.7572]
_... |
mp-625465 | Tm(HO)3 | data_[Tm2H6O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2688]
_cell_length_b [3.4322]
_cell_length_c [6.3341]
_cell... |
mp-1220254 | NdSm(MnGe)4 | data_[Nd1Sm1Mn4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
Mn 1.5500 1.4000 0.8775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9981]
_cell_length_b [3... |
mp-5625 | Ag2SO4 | data_[Ag16S8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.7002]
_cell_length_b [11.4343]
_cell_length_c [12.4895]
_ce... |
mp-7615 | Rb3TlF6 | data_[Rb6Tl2F12]
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 [I4/mmm]
_cell_length_a [7.0001]
_cell_length_b [7.0001]
_cell_length_c [9.8069]
_c... |
mp-1222669 | Li2IBr | data_[Li2I1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3969]
_cell_length_b [4.3969]
_cell_length_c [7.0919]
_cell... |
mp-1206994 | La3SnN | data_[La3Sn1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1151]
_cell_length_b [5.1151]
_cell_length_c [5.1151]
_cel... |
mp-7577 | CoSi | data_[Co4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [4.4332]
_cell_length_b [4.4332]
_cell_length_c [4.4332]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1080045 | SrHBrO | data_[Sr4H4Br4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
H 2.2000 0.2500 0.0000
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0822]
_cell_length_b [4.3386... |
mp-13675 | CdPd3O4 | data_[Cd2Pd6O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [5.8441]
_cell_length_b [5.8441]
_cell_length_c [5.8441]
_cel... |
mp-1105063 | Zr(Fe2P)2 | data_[Zr2Fe8P4]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [6.8870]
_cell_length_b [6.8870]
_cell_length_c [3.6350]
_... |
mp-865587 | Y2CuRh | data_[Y8Cu4Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9200]
_cell_length_b [6.9200]
_cell_length_c [6.9200]
_cel... |
mp-1595 | Nb2O5 | data_[Nb4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0931]
_cell_length_b [3.8727]
_cell_length_c [4.0609]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-11090 | EuCdPd | data_[Eu4Cd4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4817]
_cell_length_b [4.3930]
_cell_length_c [8.7973]
_ce... |
mp-1105306 | TlCrO3 | data_[Tl4Cr4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5218]
_cell_length_b [7.8191]
_cell_length_c [5.4168]
_cel... |
mp-862776 | TmPaOs2 | data_[Tm4Pa4Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Pa 1.5000 1.8000 1.0400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8375]
_cell_length_b [6.8375]
_cell_length_c [6.8375]
_c... |
mvc-13560 | Ca(VS2)4 | data_[Ca3V12S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.5599]
_cell_length_b [6.5599]
_cell_length_c [20.8152]
_cel... |
mp-1227768 | BaSr2(PO4)2 | data_[Ba3Sr6P6O24]
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
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5352]
_cell_length_b [5.5352... |
mp-2214 | TmMg2 | data_[Tm4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.0013]
_cell_length_b [6.0013]
_cell_length_c [9.7504]
_cell_angle_alpha [90.0000]
_ce... |
mp-1018699 | EuZnGe | data_[Eu2Zn2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.3120]
_cell_length_b [4.3437]
_cell_length_c [7.5063]
_ce... |
mp-1215248 | ZrUN2 | data_[Zr3U3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
U 1.3800 1.7500 0.9913
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3411]
_cell_length_b [3.3411]
_cell_length_c [16.6046]
_cell_... |
mp-1104155 | Y3Ga8Ag3 | data_[Y6Ga16Ag6]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3489]
_cell_length_b [9.6143]
_cell_length_c [12.9784]
_ce... |
mp-559998 | Cs(OsO3)2 | data_[Cs8Os16O48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.2804]
_cell_length_b [10.2804]
_cell_length_c [10.2804]... |
mp-627439 | Mn3GaN | data_[Mn3Ga1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ga 1.8100 1.3000 0.7600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7814]
_cell_length_b [3.7814]
_cell_length_c [3.7814]
_cel... |
mp-1188235 | MnV2Ga2Co3 | data_[Mn2V4Ga4Co6]
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
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pn-3m]
_cell_length_a [5.7465]
_cell_length_b [5.74... |
mp-1225309 | Dy3Mg | data_[Dy3Mg1]
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
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5465]
_cell_length_b [3.5465]
_cell_length_c [9.4160]
_cell_angle_alpha [90.0000]
_cell... |
mp-1205297 | Tb2S3 | data_[Tb8S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3203]
_cell_length_b [3.9125]
_cell_length_c [15.2447]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1215636 | ZnNi4O5 | data_[Zn3Ni12O15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0029]
_cell_length_b [3.0029]
_cell_length_c [36.7569]
_c... |
mp-1104283 | Dy(Fe2Si)2 | data_[Dy2Fe8Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.0955]
_cell_length_b [7.0955]
_cell_length_c [3.7435]... |
mp-1111972 | K2CuAuCl6 | data_[K8Cu4Au4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cu 1.9000 1.3500 0.8200
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.9777]
_cell_length_b [9.9... |
mp-1103512 | Te2Ir | data_[Te10Ir5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0301]
_cell_length_b [6.8504]
_cell_length_c [14.4609]
_cell_angle_alpha [99.3308]
_cell_... |
mp-10963 | Ag2SnHgSe4 | data_[Ag4Sn2Hg2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.6247]
_cell_length_b [7... |
mp-554034 | KLa2NbO6 | data_[K4La8Nb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
La 1.1000 1.9500 1.1720
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8413]
_cell_length_b [5.828... |
mp-1101995 | NbNiGe | data_[Nb4Ni4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.3384]
_cell_length_b [3.7645]
_cell_length_c [7.2631]
_ce... |
mp-1228105 | Ce(CdAs)3 | data_[Ce4Cd12As12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cd 1.6900 1.5500 1.0900
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [21.6779]
_cell_length_b [7.8049]
_cell_length_c [4.5060]
... |
mp-975906 | LiAl3 | data_[Li2Al6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9983]
_cell_length_b [3.9983]
_cell_length_c [8.1891]
_cell_angle_alpha [90.0000]
_cell... |
mp-1103785 | Pr3Al11 | data_[Pr6Al22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3754]
_cell_length_b [10.1158]
_cell_length_c [13.0545]
_cell_angle_alpha [90.0000]
_cel... |
mp-11851 | ErCoSn | data_[Er4Co4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1872]
_cell_length_b [4.5623]
_cell_length_c [7.3213]
_ce... |
mp-557761 | KBa4Sb3O | data_[K4Ba16Sb12O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ba 0.8900 2.1500 1.4900
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.9541]
_cell_length_b [8.9... |
mp-1226535 | CeU2O6 | data_[Ce1U2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8506]
_cell_length_b [3.8506]
_cell_length_c [9.3910]
_cell_... |
mp-1226527 | CeUN2 | data_[Ce3U3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
U 1.3800 1.7500 0.9913
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4995]
_cell_length_b [3.4995]
_cell_length_c [17.1256]
_cell_... |
mp-999130 | TbNi | data_[Tb4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7014]
_cell_length_b [10.2258]
_cell_length_c [4.2689]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1221688 | MnFe4CuO8 | data_[Mn4Fe16Cu4O32]
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
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.6022]
_cell_length_b [8.... |
mp-1094694 | MgCd2 | data_[Mg4Cd8]
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/c]
_cell_length_a [9.5687]
_cell_length_b [5.2535]
_cell_length_c [6.2921]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1206527 | TbSbPd | data_[Tb2Sb2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.6016]
_cell_length_b [4.6016]
_cell_length_c [7.4479]
_... |
mp-20775 | CeDyS3 | data_[Ce4Dy4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Dy 1.2200 1.7500 1.1310
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3863]
_cell_length_b [3.9832]
_cell_length_c [15.2902]
_ce... |
mp-1018026 | LiAg | data_[Li4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.0025]
_cell_length_b [4.0025]
_cell_length_c [8.3130]
_cell_angle_alpha [90.0000]
_ce... |
mp-1223920 | K3MgCu2F9 | data_[K3Mg1Cu2F9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0653]
_cell_length_b [4.065... |
mp-1208118 | TmNiPb | data_[Tm4Ni4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ni 1.9100 1.3500 0.7400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1027]
_cell_length_b [4.3884]
_cell_length_c [8.0569]
_ce... |
mp-1080470 | Ba2SmOsO6 | data_[Ba8Sm4Os4O24]
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
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 [8.5574]
_cell_length_b [8.5... |
mp-1185607 | LaEuHg2 | data_[La4Eu4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Eu 1.2000 1.8500 1.1985
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7893]
_cell_length_b [7.7893]
_cell_length_c [7.7893]
_c... |
mp-1182477 | AsN(OF3)2 | data_[As2N2O4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3298]
_cell_length_b [7.5582]
... |
mp-1227282 | Be4SiNi | data_[Be16Si4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.9397]
_cell_length_b [5.9397]
_cell_length_c [5.9397]
_... |
mvc-2170 | YCo4(CuO4)3 | data_[Y2Co8Cu6O24]
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
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 [7.2788]
_cell_length_b [7.2788... |
mp-1209304 | Rb3TbV2O8 | data_[Rb3Tb1V2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tb 1.1000 1.7500 0.9815
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0940]
_cell_length_b [6.0940... |
mp-1185442 | Lu2CuPd | data_[Lu8Cu4Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8120]
_cell_length_b [6.8120]
_cell_length_c [6.8120]
_c... |
mp-538 | CaAg | data_[Ca4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1077]
_cell_length_b [11.3619]
_cell_length_c [4.7119]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1223821 | HoZrCo4 | data_[Ho4Zr4Co16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Zr 1.3300 1.5500 0.8600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9597]
_cell_length_b [6.9597]
_cell_length_c [6.9597]
_... |
mp-1185501 | LuMgTl2 | data_[Lu4Mg4Tl8]
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
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4035]
_cell_length_b [7.4035]
_cell_length_c [7.4035]
_c... |
mp-1105927 | Sm(FeP3)4 | data_[Sm2Fe8P24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.7957]
_cell_length_b [7.7957]
_cell_length_c [7.7957]
_cel... |
mp-1104136 | Er3Pt4 | data_[Er18Pt24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.1289]
_cell_length_b [13.1289]
_cell_length_c [5.6896]
_cell_angle_alpha [90.0000]
_cel... |
mp-1225166 | Fe4Te3S | data_[Fe4Te3S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.6816]
_cell_length_b [3.6816]
_cell_length_c [12.8281]
_cel... |
mp-1219137 | Sm2Ga3Cu | data_[Sm2Ga3Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7372]
_cell_length_b [4.4177]
_cell_length_c [7.6439]
_ce... |
mp-625074 | 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 [5.4763]
_cell_length_b [3.1648]
_cell_length_c [4.7322]
_cell_ang... |
mp-2784 | Na2Te | data_[Na8Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3306]
_cell_length_b [7.3306]
_cell_length_c [7.3306]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1018763 | Li3DySb2 | data_[Li3Dy1Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Dy 1.2200 1.7500 1.1310
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.5471]
_cell_length_b [4.5471]
_cell_length_c [7.1692]
_c... |
mp-1001603 | LuNiC2 | data_[Lu2Ni2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ni 1.9100 1.3500 0.7400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.4681]
_cell_length_b [4.4974]
_cell_length_c [5.9591]
_cell... |
mp-8761 | NdCoC2 | data_[Nd4Co4C8]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.3694]
_cell_length_b [5.3721]
_cell_length_c [7.4049]
_cell_a... |
mp-1187305 | Tb3Sc | data_[Tb3Sc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9304]
_cell_length_b [4.9304]
_cell_length_c [4.9304]
_cell_angle_alpha [90.0000]
_cell_... |
mp-10408 | K2CN2 | data_[K4C2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.8189]
_cell_length_b [5.7698]
_cell_length_c [5.9179]
_cell_ang... |
mp-1206134 | Ba2CdOsO6 | data_[Ba8Cd4Os4O24]
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
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 [8.4457]
_cell_length_b [8.4... |
mp-12559 | MnAsPd2 | data_[Mn4As4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2994]
_cell_length_b [6.2994]
_cell_length_c [6.2994]
_c... |
mp-759844 | Li6MnF8 | data_[Li24Mn4F32]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4286]
_cell_length_b [8.4286]
_cell_length_c [8.4286]
_c... |
mp-17587 | Ce2Zn2Ni5 | data_[Ce12Zn12Ni30]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0351]
_cell_length_b [5.0351]
_cell_length_c [37.3050]... |
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