Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1174737 | Li5Mn3O8 | data_[Li5Mn3O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0544]
_cell_length_b [5.7723]
_cell_length_c [5.9148]
_cell_... |
mp-9752 | Li2NbF6 | data_[Li2Nb1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [5.0294]
_cell_length_b [5.0294]
_cell_length_c [4.7096]
_cel... |
mp-1226042 | Dy4FeSn8 | data_[Dy4Fe1Sn8]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4019]
_cell_length_b [4.4538]
_cell_length_c [16.6022]
_c... |
mp-1185015 | KNpO3 | data_[K1Np1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Np 1.3600 1.7500 1.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2978]
_cell_length_b [4.2978]
_cell_length_c [4.2978]
_cell_... |
mp-29684 | La5Sb3Br | data_[La10Sb6Br2]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.6708]
_cell_length_b [9.6708]
_cell_length_c [6.8023... |
mp-558336 | Ho2O3 | data_[Ho12O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0057]
_cell_length_b [3.4840]
_cell_length_c [8.6143]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1210678 | LuZrF7 | data_[Lu2Zr2F14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
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 [6.0260]
_cell_length_b [5.6479]
_cell_length_c [8.2092]
_cel... |
mp-984352 | Al2CoOs | data_[Al8Co4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9144]
_cell_length_b [5.9144]
_cell_length_c [5.9144]
_c... |
mp-1102482 | Gd2Ga8Co | data_[Gd2Ga8Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2819]
_cell_length_b [4.2819]
_cell_length_c [11.0832]
... |
mp-4484 | Ba(PRu)2 | data_[Ba2P4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
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 [4.0705]
_cell_length_b [4.0705]
_cell_length_c [12.2303]
_c... |
mp-1218164 | SrLaNd(CuO3)2 | data_[Sr2La2Nd2Cu4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Nd 1.1400 1.8500 1.2765
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length... |
mp-864982 | DyBr3 | data_[Dy2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [10.7092]
_cell_length_b [10.7092]
_cell_length_c [3.7439]
_cell_angle_alpha [90.0000]
_... |
mp-1219713 | PrNdSb2 | data_[Pr3Nd3Sb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5715]
_cell_length_b [4.5715]
_cell_length_c [22.1381]
_c... |
mp-560380 | Ba4Ho(RuO4)3 | data_[Ba12Ho3Ru9O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ho 1.2300 1.7500 1.0410
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9419]
_cell_length_b [5.9... |
mp-542824 | Ce3(AgSn)4 | data_[Ce6Ag8Sn8]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7358]
_cell_length_b [7.4228]
_cell_length_c [15.5901]
_c... |
mp-7592 | AgF | data_[Ag4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.0293]
_cell_length_b [5.0293]
_cell_length_c [5.0293]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1224960 | FeNiB | data_[Fe8Ni8B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [4.1897]
_cell_length_b [7.0353]
_cell_length_c [7.2038]
_cell... |
mp-1102302 | CeOs2 | data_[Ce4Os8]
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 [P6_3/mmc]
_cell_length_a [5.3570]
_cell_length_b [5.3570]
_cell_length_c [8.9475]
_cell_angle_alpha [90.0000]
_ce... |
mp-1188417 | Ho5In3 | data_[Ho10In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.0184]
_cell_length_b [9.0184]
_cell_length_c [6.6690]
_cell_angle_alpha [90.0000]
_c... |
mp-1209036 | Sc2SnAu2 | data_[Sc8Sn4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.6844]
_cell_length_b [7.6844]
_cell_length_c [7.0665]... |
mp-4768 | Eu(SiNi)2 | data_[Eu2Si4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0330]
_cell_length_b [4.0330]
_cell_length_c [9.7453]
_... |
mp-1834 | NdAl4 | data_[Nd2Al8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2716]
_cell_length_b [4.2716]
_cell_length_c [11.3749]
_cell_angle_alpha [90.0000]
_cel... |
mp-12343 | CsSmZnTe3 | data_[Cs4Sm4Zn4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4940]
_cell_length_b [17... |
mp-1211725 | K2RbNdV2O8 | data_[K2Rb1Nd1V2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Nd 1.1400 1.8500 1.2765
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 [... |
mp-760401 | Nb3O7F | data_[Nb6O14F2]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.9011]
_cell_length_b [21.0811]
_cell_length_c [3.9893]
_cell... |
mp-2729 | Sn7Os3 | data_[Sn28Os12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [9.5070]
_cell_length_b [9.5070]
_cell_length_c [9.5070]
_cell_angle_alpha [90.0000]
_cel... |
mp-1206721 | Cs3EuCl6 | data_[Cs12Eu4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Eu 1.2000 1.8500 1.1985
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.9842]
_cell_length_b [11.9842]
_cell_length_c [11.984... |
mp-1222515 | Lu2(B2Rh3)3 | data_[Lu2B6Rh9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
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 [5.5848]
_cell_length_b [5.5848]
_cell_length_c [8.5879]
_ce... |
mp-556450 | PrB2ClO4 | data_[Pr2B4Cl2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
B 2.0400 0.8500 0.4100
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2515]
_cell_length_b [6.6095]
... |
mp-1216567 | TlIn3Se4 | data_[Tl2In6Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [8.2575]
_cell_length_b [8.2575]
_cell_length_c [6.9491]
_ce... |
mp-1222720 | Li2Al2SiO6 | data_[Li4Al4Si2O12]
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
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C222]
_cell_length_a [5.3111]
_cell_length_b [9.21... |
mp-3182 | Th3B2C3 | data_[Th3B2C3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.7263]
_cell_length_b [3.7945]
_cell_length_c [9.2449]
_cell_a... |
mp-1225489 | ErBPd2Rh | data_[Er1B1Pd2Rh1]
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
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3155]
_cell_length_b [4.3... |
mp-1025390 | LaSi2Ag | data_[La4Si8Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3621]
_cell_length_b [17.6593]
_cell_length_c [4.2838]
_c... |
mp-1185942 | MgS | data_[Mg2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.0511]
_cell_length_b [4.0511]
_cell_length_c [6.4989]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1205862 | RbSrI3 | data_[Rb4Sr4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sr 0.9500 2.0000 1.3200
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8645]
_cell_length_b [16.0906]
_cell_length_c [12.2746]
_c... |
mp-977581 | EuHgAu2 | data_[Eu4Hg4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Hg 2.0000 1.5000 1.2450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2731]
_cell_length_b [7.2731]
_cell_length_c [7.2731]
_c... |
mp-1184360 | ErLuZn2 | data_[Er4Lu4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Lu 1.2700 1.7500 1.0010
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0158]
_cell_length_b [7.0158]
_cell_length_c [7.0158]
_c... |
mp-1188970 | Cs2CdFe(CN)6 | data_[Cs8Cd4Fe4C24N24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cd 1.6900 1.5500 1.0900
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length... |
mp-1186753 | PrNd | data_[Pr1Nd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.7088]
_cell_length_b [3.7088]
_cell_length_c [6.1016]
_cell_angle_alpha [90.0000]
_cell_... |
mp-866172 | HoMg3 | data_[Ho4Mg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3066]
_cell_length_b [7.3066]
_cell_length_c [7.3066]
_cell_angle_alpha [90.0000]
_cell... |
mp-753904 | Mn7O7F | data_[Mn7O7F1]
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 [P3m1]
_cell_length_a [3.5363]
_cell_length_b [3.5363]
_cell_length_c [19.5695]
_cell_... |
mp-1188547 | Tb3Cu3Sb4 | data_[Tb12Cu12Sb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.6096]
_cell_length_b [9.6096]
_cell_length_c [9.6096]... |
mp-4076 | VCoSb | data_[V4Co4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Co 1.8800 1.3500 0.7683
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.8272]
_cell_length_b [5.8272]
_cell_length_c [5.8272]
_cel... |
mp-1251392 | AlCuF5 | data_[Al2Cu2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5934]
_cell_length_b [6.2565]
_cell_length_c [7.3811]
_cel... |
mp-12490 | CsHoCdTe3 | data_[Cs4Ho4Cd4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5364]
_cell_length_b [17... |
mp-1029655 | Sr3WN3 | data_[Sr6W2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [7.9823]
_cell_length_b [7.9823]
_cell_length_c [5.3843]
_cell... |
mp-1281811 | MnOF | data_[Mn2O2F2]
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 [Pmn2_1]
_cell_length_a [3.8370]
_cell_length_b [6.2572]
_cell_length_c [3.1868]
_cell... |
mp-208 | GeIr | data_[Ge4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6283]
_cell_length_b [3.5786]
_cell_length_c [6.3785]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1186523 | Pm3Nd | data_[Pm6Nd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1773]
_cell_length_b [5.1773]
_cell_length_c [10.3882]
_cell_angle_alpha [90.0000]
_cel... |
mp-753276 | Li2CoNiO4 | data_[Li2Co1Ni1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0214]
_cell_length_b [2.983... |
mp-867182 | Sm2ZnIr | data_[Sm8Zn4Ir4]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1221]
_cell_length_b [7.1221]
_cell_length_c [7.1221]
_c... |
mp-1216891 | U2Si3Ru | data_[U4Si6Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Si 1.9000 1.1000 0.5400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [8.2020]
_cell_length_b [8.2020]
_cell_length_c [3.7817]
_cel... |
mp-11328 | P2W | data_[P8W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.1813]
_cell_length_b [11.2372]
_cell_length_c [5.0074]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1299702 | FeHO2 | data_[Fe8H8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9641]
_cell_length_b [3.0782]
_cell_length_c [10.5754]
_cel... |
mp-1694 | Yb2Ge | data_[Yb8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4614]
_cell_length_b [4.8177]
_cell_length_c [8.9541]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-561518 | Mg2BiAsO6 | data_[Mg8Bi4As4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Bi 2.0200 1.6000 1.0350
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.0097]
_cell_length_b [12.4... |
mp-4109 | Ba(AsRu)2 | data_[Ba2As4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
As 2.1800 1.1500 0.6600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2057]
_cell_length_b [4.2057]
_cell_length_c [12.4285]
... |
mp-1086652 | BaAgSF | data_[Ba2Ag2S2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3044]
_cell_length_b [4.304... |
mp-1183049 | AcLa | data_[Ac1La1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
La 1.1000 1.9500 1.1720
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.9268]
_cell_length_b [3.9268]
_cell_length_c [6.2778]
_cell_angle_alpha [90.0000]
_cell_... |
mp-2191 | ErSb | data_[Er4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1589]
_cell_length_b [6.1589]
_cell_length_c [6.1589]
_cell_angle_alpha [90.0000]
_cell_... |
mp-555150 | KTa(BO3)2 | data_[K2Ta2B4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ta 1.5000 1.4500 0.8200
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.4963]
_cell_length_b [3.9556... |
mp-1283761 | Li2CoNiO4 | data_[Li8Co4Ni4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0644]
_cell_length_b [5.8... |
mp-1184374 | FeIr3 | data_[Fe2Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4066]
_cell_length_b [5.4066]
_cell_length_c [4.3089]
_cell_angle_alpha [90.0000]
_ce... |
mp-3677 | MgSiN2 | data_[Mg4Si4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [5.3100]
_cell_length_b [6.5036]
_cell_length_c [5.0305]
_ce... |
mp-759836 | Li2V2OF5 | data_[Li2V2O1F5]
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 [P1]
_cell_length_a [5.1816]
_cell_length_b [5.2017]
_ce... |
mp-567678 | Y7FeI12 | data_[Y21Fe3I36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [15.6355]
_cell_length_b [15.6355]
_cell_length_c [10.8484]
_ce... |
mp-865462 | MnV2Os | data_[Mn4V8Os4]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9151]
_cell_length_b [5.9151]
_cell_length_c [5.9151]
_cel... |
mp-1185164 | HoGePd | data_[Ho12Ge12Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.4038]
_cell_length_b [20.9231]
_cell_length_c [7.6345]... |
mp-979414 | WSCl4 | data_[W2S2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9890]
_cell_length_b [8.0099]
_cell_length_c [8.1086]
_cell_an... |
mp-989556 | Cs2NaPbF6 | data_[Cs8Na4Pb4F24]
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
Pb 2.3300 1.8000 1.1225
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.3123]
_cell_length_b [9.3... |
mp-624928 | KEu(CuTe2)2 | data_[K1Eu1Cu2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Eu 1.2000 1.8500 1.1985
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.4386]
_cell_length_b [4.438... |
mp-1225441 | Eu2Si3Au | data_[Eu2Si3Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.2249]
_cell_length_b [4.2249]
_cell_length_c [8.8740]
_c... |
mp-1105584 | VZn2BiO6 | data_[V2Zn4Bi2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Zn 1.6500 1.3500 0.8800
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7988]
_cell_length_b [6.9366]... |
mp-4044 | ErAgSe2 | data_[Er4Ag4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.2462]
_cell_length_b [6.8220]
_cell_length_c [13.74... |
mp-864675 | Yb3N2 | data_[Yb18N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [6.1280]
_cell_length_b [6.1280]
_cell_length_c [16.2729]
_cell_angle_alpha [90.0000]
_cell_... |
mp-10199 | Mn(NbS2)3 | data_[Mn2Nb6S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Nb 1.6000 1.4500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_322]
_cell_length_a [5.8384]
_cell_length_b [5.8384]
_cell_length_c [12.4151]
_... |
mp-1188971 | Ho2Sn5Rh3 | data_[Ho8Sn20Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3915]
_cell_length_b [26.5660]
_cell_length_c [7.3404... |
mp-23313 | InBi | data_[In2Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.9856]
_cell_length_b [4.9856]
_cell_length_c [4.9848]
_cell_angle_alpha [90.0000]
_cell... |
mp-1224394 | HfUN2 | data_[Hf3U3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
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 [3.2596]
_cell_length_b [3.2596]
_cell_length_c [16.9011]
_cell_... |
mp-862371 | Sc2RuPt | data_[Sc8Ru4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ru 2.2000 1.3000 0.6610
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4975]
_cell_length_b [6.4975]
_cell_length_c [6.4975]
_c... |
mp-12962 | Zr6FeSb2 | data_[Zr6Fe1Sb2]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8490]
_cell_length_b [7.8490]
_cell_length_c [3.6214]
_c... |
mp-764355 | LiFeSiO4 | data_[Li2Fe2Si2O8]
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 [Pc]
_cell_length_a [5.1348]
_cell_length_b [5.4687]... |
mp-10478 | CeAsRh | data_[Ce4As4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5695]
_cell_length_b [4.3991]
_cell_length_c [7.3262]
_ce... |
mp-1104166 | Sc2CdSe4 | data_[Sc16Cd8Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.3737]
_cell_length_b [11.3737]
_cell_length_c [11.373... |
mp-170 | HoCd | data_[Ho1Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7353]
_cell_length_b [3.7353]
_cell_length_c [3.7353]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1180378 | Mg(BrO3)2 | data_[Mg2Br4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
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 [9.8696]
_cell_length_b [5.7146]
_cell_length_c [6.2697]
_cel... |
mp-1189759 | Pr7Ir3 | data_[Pr14Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.2481]
_cell_length_b [10.2481]
_cell_length_c [6.4163]
_cell_angle_alpha [90.0000]
_c... |
mvc-16724 | LiTi2O4 | data_[Li4Ti8O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.8688]
_cell_length_b [6.0068]
_cell_length_c [8.4223]
_cel... |
mp-760035 | Na3Ni2O5 | data_[Na6Ni4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
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 [5.2797]
_cell_length_b [6.3053]
_cell_length_c [6.9054]
_cell... |
mp-3933 | Mg2PN3 | data_[Mg8P4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.7837]
_cell_length_b [5.6935]
_cell_length_c [4.7612]
_cel... |
mp-1099786 | Ca2Co2O5 | data_[Ca8Co8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [15.3193]
_cell_length_b [5.5401]
_cell_length_c [5.2958]
_ce... |
mp-1218396 | SrAlSiN3 | data_[Sr2Al2Si2N6]
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
Si 1.9000 1.1000 0.5400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.7482]
_cell_length_b [5.197... |
mp-21400 | Ga3Pt2 | data_[Ga3Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2906]
_cell_length_b [4.2906]
_cell_length_c [5.3311]
_cell_angle_alpha [90.0000]
_cell_... |
mp-865732 | LuCd2 | data_[Lu1Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9455]
_cell_length_b [4.9455]
_cell_length_c [3.3718]
_cell_angle_alpha [90.0000]
_cell... |
mp-696275 | SnH8(NCl3)2 | data_[Sn4H32N8Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.3304]
_cell_length_b [10.... |
mp-7787 | HfSO | data_[Hf4S4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [5.6986]
_cell_length_b [5.6986]
_cell_length_c [5.6986]
_cell_... |
mp-2896 | Pr(GeRh)2 | data_[Pr2Ge4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1948]
_cell_length_b [4.1948]
_cell_length_c [10.6141]
... |
mp-8255 | CaPtF6 | data_[Ca3Pt3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pt 2.2800 1.3500 0.8050
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.4310]
_cell_length_b [5.4310]
_cell_length_c [14.8839]
_cel... |
mp-1183560 | CaSmAg2 | data_[Ca4Sm4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sm 1.1700 1.8500 1.2290
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4064]
_cell_length_b [7.4064]
_cell_length_c [7.4064]
_c... |
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