Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1186689 | Pr2MgAl | data_[Pr8Mg4Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6473]
_cell_length_b [7.6473]
_cell_length_c [7.6473]
_c... |
mp-8924 | Ba2LiFe2N3 | data_[Ba8Li4Fe8N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.8607]
_cell_length_b [11.7... |
mp-22384 | DyInPt | data_[Dy3In3Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6941]
_cell_length_b [7.6941]
_cell_length_c [3.8652]
_c... |
mp-569006 | Sr(AsRh)2 | data_[Sr2As4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1084]
_cell_length_b [4.1084]
_cell_length_c [12.0239]
... |
mp-1226497 | CePrO4 | data_[Ce3Pr3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pr 1.1300 1.8500 1.0600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9670]
_cell_length_b [3.9670]
_cell_length_c [19.2310]
_ce... |
mp-17118 | Y3Ge5 | data_[Y24Ge40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [5.7971]
_cell_length_b [17.4345]
_cell_length_c [13.8093]
_cell_angle_alpha [90.0000]
_cell... |
mp-1221901 | Mn2In2CuPd3 | data_[Mn6In6Cu3Pd9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.4946]
_cell_length_b [4.49... |
mp-6036 | CaCu3(RuO3)4 | data_[Ca2Cu6Ru8O24]
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
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.4993]
_cell_length_b [7.49... |
mp-1105944 | HS2N(O2F)2 | data_[H2S4N2O8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
S 2.5800 1.0000 0.8800
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 [P2_1]
_cell_length_a [5.296... |
mp-1216981 | TiFeBiPbO6 | data_[Ti2Fe2Bi2Pb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length... |
mp-13182 | Li2TiGeO5 | data_[Li4Ti2Ge2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [6.6593]
_cell_length_b [6.... |
mp-1227746 | BaSr3Zr2Ti2O12 | data_[Ba3Sr9Zr6Ti6O36]
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
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_... |
mp-760242 | LiVOF4 | data_[Li2V2O2F8]
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 [P-1]
_cell_length_a [5.4019]
_cell_length_b [5.6969]
_c... |
mp-1184995 | La3Cd | data_[La3Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0817]
_cell_length_b [5.0817]
_cell_length_c [5.0817]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1006242 | EuInNi5 | data_[Eu6In6Ni30]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8918]
_cell_length_b [4.8918]
_cell_length_c [29.6890]
_... |
mp-754336 | Li2MnFeO4 | data_[Li4Mn2Fe2O8]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1518]
_cell_length_b [4.15... |
mp-530 | Nd4Sb3 | data_[Nd16Sb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.5206]
_cell_length_b [9.5206]
_cell_length_c [9.5206]
_cell_angle_alpha [90.0000]
_cel... |
mp-1225872 | Er4NiSn8 | data_[Er4Ni1Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.3860]
_cell_length_b [4.3904]
_cell_length_c [16.9101]
_c... |
mp-12181 | BaSnS2 | data_[Ba4Sn4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1891]
_cell_length_b [12.5182]
_cell_length_c [6.3558]
_c... |
mp-1104598 | ErB12 | data_[Er4B48]
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
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4797]
_cell_length_b [7.4797]
_cell_length_c [7.4797]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-643 | ThO2 | data_[Th4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6193]
_cell_length_b [5.6193]
_cell_length_c [5.6193]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1238967 | Rb3RuF6 | data_[Rb3Ru1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ru 2.2000 1.3000 0.6610
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9936]
_cell_length_b [7.0917]
_cell_length_c [7.1765]
_cell_... |
mp-9672 | K2NiP2 | data_[K8Ni4P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.4212]
_cell_length_b [13.8272]
_cell_length_c [5.6115]
_cell_... |
mp-977421 | TbGaRh2 | data_[Tb4Ga4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4829]
_cell_length_b [6.4829]
_cell_length_c [6.4829]
_c... |
mp-10873 | ScAlAu2 | data_[Sc4Al4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
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 [6.6079]
_cell_length_b [6.6079]
_cell_length_c [6.6079]
_c... |
mp-775319 | Li2Mn3NiO8 | data_[Li6Mn9Ni3O24]
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 [R3m]
_cell_length_a [5.8215]
_cell_length_b [5.821... |
mp-865442 | TiAlOs2 | data_[Ti4Al4Os8]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1228]
_cell_length_b [6.1228]
_cell_length_c [6.1228]
_c... |
mp-865089 | NaCeTl2 | data_[Na4Ce4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ce 1.1200 1.8500 1.0800
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6844]
_cell_length_b [7.6844]
_cell_length_c [7.6844]
_c... |
mp-574085 | Dy5Sn13 | data_[Dy10Sn26]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3944]
_cell_length_b [4.4759]
_cell_length_c [48.5517]
_cell_angle_alpha [90.0000]
_cel... |
mp-1039426 | Mg3Cd | data_[Mg6Cd2]
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 [Imm2]
_cell_length_a [3.2050]
_cell_length_b [10.3103]
_cell_length_c [5.3761]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1224137 | In5S8 | data_[In20S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.8635]
_cell_length_b [10.8635]
_cell_length_c [10.8635]
_cell_angle_alpha [90.0000]
_ce... |
mp-2473 | Re3As7 | data_[Re12As28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.8644]
_cell_length_b [8.8644]
_cell_length_c [8.8644]
_cell_angle_alpha [90.0000]
_cel... |
mp-754936 | DyAlO3 | data_[Dy6Al6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [5.3097]
_cell_length_b [5.3097]
_cell_length_c [12.7382]
_ce... |
mp-19116 | Sr2CaMoO6 | data_[Sr4Ca2Mo2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8088]
_cell_length_b [5.... |
mp-864644 | AcCdHg2 | data_[Ac4Cd4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
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 [7.6459]
_cell_length_b [7.6459]
_cell_length_c [7.6459]
_c... |
mp-33723 | BiTeBr | data_[Bi1Te1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3579]
_cell_length_b [4.3579]
_cell_length_c [6.9143]
_ce... |
mp-1214175 | Bi7I2 | data_[Bi14I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.3547]
_cell_length_b [4.4793]
_cell_length_c [13.5891]
_cell_angle_alpha [90.0000]
_cel... |
mvc-15677 | ZnBiF6 | data_[Zn3Bi3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Bi 2.0200 1.6000 1.0350
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.6412]
_cell_length_b [5.6412]
_cell_length_c [14.4905]
_cel... |
mp-978257 | MgSn3 | data_[Mg2Sn6]
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 [P6_3/mmc]
_cell_length_a [6.6031]
_cell_length_b [6.6031]
_cell_length_c [5.5541]
_cell_angle_alpha [90.0000]
_ce... |
mp-1018673 | CoPPd | data_[Co2P2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.6191]
_cell_length_b [3.6191]
_cell_length_c [5.8421]
_ce... |
mp-8622 | Rb2PtSe2 | data_[Rb4Pt2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pt 2.2800 1.3500 0.8050
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8496]
_cell_length_b [7.6910]
_cell_length_c [10.3383]
_c... |
mp-690515 | K2CoH2(SeO5)2 | data_[K2Co1H2Se2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Co 1.8800 1.3500 0.7683
H 2.2000 0.2500 0.0000
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5... |
mp-1077374 | ThSiS | data_[Th4Si4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Si 1.9000 1.1000 0.5400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9044]
_cell_length_b [3.9044]
_cell_length_c [17.1967]
_c... |
mp-972899 | Sc2GaIr | data_[Sc8Ga4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5884]
_cell_length_b [6.5884]
_cell_length_c [6.5884]
_c... |
mp-754746 | VOF | data_[V6O6F6]
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/m]
_cell_length_a [4.7545]
_cell_length_b [3.1014]
_cell_length_c [14.2065]
_cell_an... |
mp-1105833 | Hf4Co7Ge6 | data_[Hf8Co14Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [7.8332]
_cell_length_b [7.8332]
_cell_length_c [7.8332]
... |
mp-1185762 | Mg2CdRh | data_[Mg8Cd4Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5554]
_cell_length_b [6.5554]
_cell_length_c [6.5554]
_c... |
mp-2775 | SrAl4 | data_[Sr2Al8]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4642]
_cell_length_b [4.4642]
_cell_length_c [11.2476]
_cell_angle_alpha [90.0000]
_cel... |
mp-862838 | PmAlCu2 | data_[Pm4Al4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5582]
_cell_length_b [6.5582]
_cell_length_c [6.5582]
_c... |
mp-763211 | V3O5F | data_[V6O10F2]
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 [P1]
_cell_length_a [4.6911]
_cell_length_b [5.5533]
_cell_length_c [7.5044]
_cell_angl... |
mp-1205400 | Ba2NdInTe5 | data_[Ba8Nd4In4Te20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6342]
_cell_length_b [... |
mp-989551 | LiTl2InF6 | data_[Li4Tl8In4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5680]
_cell_length_b [8.5... |
mp-1221125 | NaBiS2 | data_[Na3Bi3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0685]
_cell_length_b [4.0685]
_cell_length_c [20.3986]
_cel... |
mp-752799 | Li2FeSiO4 | data_[Li4Fe2Si2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0149]
_cell_length_b [5.4228]... |
mp-569107 | CsErZnTe3 | data_[Cs4Er4Zn4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Er 1.2400 1.7500 1.0300
Zn 1.6500 1.3500 0.8800
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4168]
_cell_length_b [17... |
mp-759839 | Li2VF6 | data_[Li2V1F6]
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 [P-3m1]
_cell_length_a [5.8089]
_cell_length_b [5.8089]
_cell_length_c [4.8736]
_cell_... |
mp-616507 | Cs2Na2IrO4 | data_[Cs8Na8Ir4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0888]
_cell_length_b [6.0... |
mp-864797 | NdCrSe3 | data_[Nd4Cr4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cr 1.6600 1.4000 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1423]
_cell_length_b [3.9688]
_cell_length_c [13.7303]
_... |
mp-864932 | Mg2AgPt | data_[Mg8Ag4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
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 [6.4917]
_cell_length_b [6.4917]
_cell_length_c [6.4917]
_c... |
mp-977113 | MgPdAu2 | data_[Mg4Pd4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5190]
_cell_length_b [6.5190]
_cell_length_c [6.5190]
_c... |
mp-30846 | Sn3Pt2 | data_[Sn6Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.4141]
_cell_length_b [4.4141]
_cell_length_c [13.2100]
_cell_angle_alpha [90.0000]
_c... |
mp-1216885 | U2NiGe2Pd | data_[U4Ni2Ge4Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.4171]
_cell_length_b [7.5... |
mp-1206326 | ErAlSi | data_[Er4Al4Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0021]
_cell_length_b [10.2184]
_cell_length_c [5.6469]
_c... |
mp-1217023 | TiB2W | data_[Ti2B4W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
B 2.0400 0.8500 0.4100
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.0853]
_cell_length_b [3.1866]
_cell_length_c [8.4264]
_cell_a... |
mp-1104494 | Lu(Fe2Ge)2 | data_[Lu2Fe8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.1759]
_cell_length_b [7.1759]
_cell_length_c [3.8579]... |
mp-505598 | Zr(Ni2P)2 | data_[Zr2Ni8P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [6.9284]
_cell_length_b [6.9284]
_cell_length_c [3.5832]
_... |
mp-1209166 | RbTmI3 | data_[Rb4Tm4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tm 1.2500 1.7500 1.0950
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.2457]
_cell_length_b [4.3216]
_cell_length_c [17.9662]
_c... |
mp-1095425 | LiEuSb | data_[Li4Eu4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Eu 1.2000 1.8500 1.1985
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8957]
_cell_length_b [4.8015]
_cell_length_c [8.3861]
_ce... |
mp-1029779 | ZnGeN2 | data_[Zn4Ge4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5499]
_cell_length_b [6.4492]
_cell_length_c [5.5241]
_ce... |
mp-1215769 | YbEu(FeO2)4 | data_[Yb1Eu1Fe4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Eu 1.2000 1.8500 1.1985
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.0816]
_cell_length_b [3.524... |
mp-1211458 | LaSbRh | data_[La4Sb4Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6151]
_cell_length_b [4.7003]
_cell_length_c [7.9906]
_ce... |
mp-1225549 | LaAl2Cu3 | data_[La2Al4Cu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.3724]
_cell_length_b [9.0399]
_cell_length_c [4.2118]
_ce... |
mp-1216599 | UCuSi2Ni | data_[U2Cu2Si4Ni2]
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
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9526]
_cell_length_b [3.95... |
mp-1104960 | Sc3(CuSi)4 | data_[Sc6Cu8Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9619]
_cell_length_b [6.4253]
_cell_length_c [13.1212]
_c... |
mp-1223823 | Hf2Cr3Si | data_[Hf4Cr6Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Cr 1.6600 1.4000 0.9400
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.9910]
_cell_length_b [4.9910]
_cell_length_c [8.2691]... |
mp-1207497 | YbZrF7 | data_[Yb2Zr2F14]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.0547]
_cell_length_b [6.0715]
_cell_length_c [8.1600]
_cel... |
mp-1188534 | ScCrC2 | data_[Sc4Cr4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cr 1.6600 1.4000 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.2463]
_cell_length_b [9.0373]
_cell_length_c [5.6609]
_cell... |
mp-4743 | ErTiGe | data_[Er2Ti2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ti 1.5400 1.4000 0.8517
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0393]
_cell_length_b [4.0393]
_cell_length_c [7.6142]
_... |
mp-1080226 | CsTlBr3 | data_[Cs2Tl2Br6]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2994]
_cell_length_b [8.2996]
_cell_length_c [5.8673]
_cell... |
mp-40630 | CaPrMn2O6 | data_[Ca2Pr2Mn4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pr 1.1300 1.8500 1.0600
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.7214]
_cell_length_b [5.... |
mp-1181552 | CsNi2F6 | data_[Cs4Ni8F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.2017]
_cell_length_b [7.4915]
_cell_length_c [10.1589]
_ce... |
mp-1181655 | Cs3Sn4Au | data_[Cs6Sn8Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.5514]
_cell_length_b [15.5529]
_cell_length_c [6.7494]
_c... |
mp-2164 | Mo3S4 | data_[Mo18S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.2889]
_cell_length_b [9.2889]
_cell_length_c [10.9841]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1226100 | CoCu2SnSe4 | data_[Co2Cu4Sn2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.7091]
_cell_length_b [5.70... |
mp-1087540 | CdCu2SiTe4 | data_[Cd2Cu4Si2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.1689]
_cell_length_b [6.... |
mp-9712 | Ba3BPO3 | data_[Ba6B2P2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
B 2.0400 0.8500 0.4100
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5751]
_cell_length_b [5.575... |
mp-1216055 | YbEu(InCu4)2 | data_[Yb3Eu3In6Cu24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.1333]
_cell_length_b [5.1... |
mp-1104660 | Bi(PdO2)2 | data_[Bi2Pd4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7892]
_cell_length_b [6.1757]
_cell_length_c [6.5186]
_cell_... |
mp-627119 | VHO3 | data_[V4H4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.6341]
_cell_length_b [6.1756]
_cell_length_c [12.1410]
_cell_ang... |
mp-1216683 | TiSb4Mo | data_[Ti2Sb8Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Sb 2.0500 1.4500 0.8300
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2624]
_cell_length_b [3.6382]
_cell_length_c [8.2939]
_cel... |
mp-20325 | Ti3InC | data_[Ti3In1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
In 1.7800 1.5500 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2482]
_cell_length_b [4.2482]
_cell_length_c [4.2482]
_cel... |
mp-1215511 | YbGa3Au | data_[Yb2Ga6Au2]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.1056]
_cell_length_b [4.1056]
_cell_length_c [11.8493]
_c... |
mp-972205 | V2MoOs | data_[V8Mo4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Mo 2.1600 1.4500 0.7750
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0884]
_cell_length_b [6.0884]
_cell_length_c [6.0884]
_cel... |
mp-1114590 | Rb2NaInBr6 | data_[Rb8Na4In4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
In 1.7800 1.5500 0.9400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2479]
_cell_length_b [... |
mp-1094697 | Mg2Cd | data_[Mg8Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.4417]
_cell_length_b [5.4177]
_cell_length_c [5.1433]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1247277 | Mn3FeN3 | data_[Mn6Fe2N6]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.6239]
_cell_length_b [6.6239]
_cell_length_c [3.9475]
_... |
mp-1103986 | BaLuFe4O7 | data_[Ba2Lu2Fe8O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Lu 1.2700 1.7500 1.0010
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.4150]
_cell_length_b [6.415... |
mp-11256 | ScAu | data_[Sc1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.4136]
_cell_length_b [3.4136]
_cell_length_c [3.4136]
_cell_angle_alpha [90.0000]
_cell_... |
mp-752806 | Mn3OF5 | data_[Mn12O4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.4110]
_cell_length_b [7.0736]
_cell_length_c [7.5054]
_cell_a... |
mp-1226153 | Cs3H(SeO4)2 | data_[Cs6H2Se4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
H 2.2000 0.2500 0.0000
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.1341]
_cell_length_b [6.5278]... |
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