Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-758804 | V2OF5 | data_[V4O2F10]
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 [C2]
_cell_length_a [8.8371]
_cell_length_b [5.2069]
_cell_length_c [5.3900]
_cell_angl... |
mp-27616 | ErSCl | data_[Er2S2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.9581]
_cell_length_b [5.3312]
_cell_length_c [8.1181]
_cell... |
mp-1221973 | MgHg4Te5 | data_[Mg2Hg8Te10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.7009]
_cell_length_b [4.7009]
_cell_length_c [32.9922]
... |
mp-1105176 | RbBi2Br7 | data_[Rb2Bi4Br14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Bi 2.0200 1.6000 1.0350
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.8196]
_cell_length_b [9.8490]
_cell_length_c [10.7038]
_c... |
mp-1112149 | Cs2NaInI6 | data_[Cs8Na4In4I24]
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
In 1.7800 1.5500 0.9400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.2816]
_cell_length_b [12... |
mp-30498 | TbCd3 | data_[Tb2Cd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.6679]
_cell_length_b [6.6679]
_cell_length_c [4.9953]
_cell_angle_alpha [90.0000]
_ce... |
mp-758951 | MnOF | data_[Mn4O4F4]
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 [Pnma]
_cell_length_a [5.4592]
_cell_length_b [3.7246]
_cell_length_c [8.9364]
_cell_a... |
mp-754852 | BaSrI4 | data_[Ba3Sr3I12]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8700]
_cell_length_b [5.8700]
_cell_length_c [28.0915]
_ce... |
mp-864886 | Dy2NiIr | data_[Dy8Ni4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ni 1.9100 1.3500 0.7400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8237]
_cell_length_b [6.8237]
_cell_length_c [6.8237]
_c... |
mp-28321 | Sc7CI12 | data_[Sc21C3I36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
C 2.5500 0.7000 0.3000
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [15.2136]
_cell_length_b [15.2136]
_cell_length_c [9.9840]
_cell... |
mp-1186210 | Nb2TcOs | data_[Nb8Tc4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Tc 1.9000 1.3500 0.7417
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3952]
_cell_length_b [6.3952]
_cell_length_c [6.3952]
_c... |
mp-1206887 | ThCoGe2 | data_[Th4Co4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2148]
_cell_length_b [16.8338]
_cell_length_c [4.2315]
_c... |
mp-1218568 | Sr4Co(IrO4)3 | data_[Sr4Co1Ir3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Co 1.8800 1.3500 0.7683
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6018]
_cell_length_b [5.662... |
mp-1217926 | TaSi4Mo | data_[Ta3Si12Mo3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [4.7164]
_cell_length_b [13.1259]
_cell_length_c [4.7342]
_ce... |
mp-1523299 | NaSmEuWO6 | data_[Na4Sm4Eu4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sm 1.1700 1.8500 1.2290
Eu 1.2000 1.8500 1.1985
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_... |
mp-1219723 | PrThCN | data_[Pr3Th3C3N3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Th 1.3000 1.8000 1.0800
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.7522]
_cell_length_b [3.7522]
... |
mp-1226834 | Ce2Al3GaPd4 | data_[Ce2Al3Ga1Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2907]
_cell_length_b [4.... |
mp-755702 | Li2TiVO4 | data_[Li4Ti2V2O8]
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
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1306]
_cell_length_b [4.1306... |
mp-556415 | LiMnO2 | data_[Li8Mn8O16]
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 [I4_1/amd]
_cell_length_a [5.7578]
_cell_length_b [5.7578]
_cell_length_c [9.3151]
... |
mp-862965 | PmTlAu2 | data_[Pm4Tl4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Tl 1.6200 1.9000 1.3325
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2036]
_cell_length_b [7.2036]
_cell_length_c [7.2036]
_c... |
mp-1008501 | Be | data_[Be4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [3.7468]
_cell_length_b [3.7468]
_cell_length_c [2.2813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
mp-1002106 | HfPd | data_[Hf1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.3278]
_cell_length_b [3.3278]
_cell_length_c [3.3278]
_cell_angle_alpha [90.0000]
_cell_... |
mp-573697 | CsCl | data_[Cs4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0620]
_cell_length_b [7.0620]
_cell_length_c [7.0620]
_cell_angle_alpha [90.0000]
_cell_... |
mp-22660 | InAgO2 | data_[In3Ag3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3328]
_cell_length_b [3.3328]
_cell_length_c [19.2037]
_cel... |
mp-1103414 | ZrSiPd | data_[Zr4Si4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6787]
_cell_length_b [3.9095]
_cell_length_c [7.6758]
_ce... |
mp-17535 | B3Ru7 | data_[B6Ru14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [7.5194]
_cell_length_b [7.5194]
_cell_length_c [4.7556]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1104515 | Lu2FeC4 | data_[Lu8Fe4C16]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.4298]
_cell_length_b [9.3106]
_cell_length_c [4.9326]
_cel... |
mp-548691 | Sr2ZnReO6 | data_[Sr4Zn2Re2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zn 1.6500 1.3500 0.8800
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.6445]
_cell_length_b [5.64... |
mp-752551 | Ni3OF5 | data_[Ni12O4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
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 [9.1344]
_cell_length_b [6.5862]
_cell_length_c [7.3901]
_cell... |
mp-1208320 | TbNiP | data_[Tb4Ni4P4]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.9102]
_cell_length_b [3.9102]
_cell_length_c [15.5407]
... |
mp-1221741 | Mn3CoP4 | data_[Mn3Co1P4]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.1560]
_cell_length_b [3.1182]
_cell_length_c [5.8388]
_cell_a... |
mp-27629 | Cs3Sb2Cl9 | data_[Cs3Sb2Cl9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.7965]
_cell_length_b [7.7965]
_cell_length_c [9.5367]
_c... |
mp-10924 | Mg(Co3P2)2 | data_[Mg1Co6P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.5713]
_cell_length_b [6.5713]
_cell_length_c [3.3588]
_cel... |
mp-865930 | TiZnCu2 | data_[Ti4Zn4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9936]
_cell_length_b [5.9936]
_cell_length_c [5.9936]
_c... |
mp-865795 | LiSc2Ru | data_[Li4Sc8Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sc 1.3600 1.6000 0.8850
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5483]
_cell_length_b [6.5483]
_cell_length_c [6.5483]
_c... |
mp-1226296 | CrCu(PSe3)2 | data_[Cr2Cu2P4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.2565]
_cell_length_b [10.828... |
mp-239 | BaS3 | data_[Ba2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-42_1m]
_cell_length_a [6.9837]
_cell_length_b [6.9837]
_cell_length_c [4.2342]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1226490 | CeZr3O8 | data_[Ce2Zr6O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.7071]
_cell_length_b [7.3878]
_cell_length_c [10.7489]
_ce... |
mp-862917 | PmInAu2 | data_[Pm4In4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1287]
_cell_length_b [7.1287]
_cell_length_c [7.1287]
_c... |
mp-1106281 | Th5Pb3 | data_[Th10Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.5368]
_cell_length_b [9.5368]
_cell_length_c [6.5787]
_cell_angle_alpha [90.0000]
_c... |
mp-1220586 | Nb3V3Ir2 | data_[Nb9V9Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
V 1.6300 1.3500 0.7775
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [7.0616]
_cell_length_b [7.0616]
_cell_length_c [8.6752]
_cell_... |
mp-1215296 | ZrMnCr | data_[Zr8Mn8Cr8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Mn 1.5500 1.4000 0.8775
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.1032]
_cell_length_b [5.0217]
_cell_length_c [8.7543]
_ce... |
mp-5109 | Y(NiGe)2 | data_[Y2Ni4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0668]
_cell_length_b [4.0668]
_cell_length_c [9.8254]
_ce... |
mp-554337 | Rb2IrF6 | data_[Rb2Ir1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ir 2.2000 1.3500 0.7650
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0755]
_cell_length_b [6.0755]
_cell_length_c [4.8936]
_cel... |
mp-865222 | Dy2RuRh | data_[Dy8Ru4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8122]
_cell_length_b [6.8122]
_cell_length_c [6.8122]
_c... |
mp-1225738 | CuBi5S8 | data_[Cu2Bi10S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.3462]
_cell_length_b [4.0632]
_cell_length_c [14.2228]
_ce... |
mp-4262 | BeAlB | data_[Be4Al4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Al 1.6100 1.2500 0.6750
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [4.9627]
_cell_length_b [4.9627]
_cell_length_c [4.9627]
_cel... |
mp-546936 | Co(RhO2)2 | data_[Co8Rh16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.6300]
_cell_length_b [8.6300]
_cell_length_c [8.6300]
_c... |
mp-980199 | YbDyHg2 | data_[Yb4Dy4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Dy 1.2200 1.7500 1.1310
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4511]
_cell_length_b [7.4511]
_cell_length_c [7.4511]
_c... |
mp-975868 | Li3Al | data_[Li6Al2]
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 [3.9168]
_cell_length_b [3.9168]
_cell_length_c [8.7828]
_cell_angle_alpha [90.0000]
_cell... |
mp-1002570 | KMnO2 | data_[K2Mn2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3720]
_cell_length_b [2.9463]
_cell_length_c [6.5767]
_cell_a... |
mp-1186711 | Pr3Er | data_[Pr6Er2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1828]
_cell_length_b [5.1828]
_cell_length_c [10.4466]
_cell_angle_alpha [90.0000]
_cel... |
mp-13334 | ZnSnO3 | data_[Zn6Sn6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [5.3509]
_cell_length_b [5.3509]
_cell_length_c [14.2244]
_cel... |
mp-25390 | Li2CoPO4F | data_[Li4Co2P2O8F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3... |
mp-1222925 | LaPr3(CoP)8 | data_[La1Pr3Co8P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9093]
_cell_length_b [3.9... |
mp-1391 | Ag2F | data_[Ag2F1]
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 [P-3m1]
_cell_length_a [3.0573]
_cell_length_b [3.0573]
_cell_length_c [5.7949]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1225356 | Dy(VFe5)2 | data_[Dy2V4Fe20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6821]
_cell_length_b [8.4193]
_cell_length_c [8.4958]
_cel... |
mp-863682 | PmGa3 | data_[Pm2Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.4334]
_cell_length_b [6.4334]
_cell_length_c [4.6136]
_cell_angle_alpha [90.0000]
_ce... |
mp-998307 | CsPdBr3 | data_[Cs1Pd1Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pd 2.2000 1.4000 0.8462
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.3354]
_cell_length_b [5.3354]
_cell_length_c [5.3354]
_c... |
mp-1299 | SiPt2 | data_[Si2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9827]
_cell_length_b [3.9827]
_cell_length_c [5.9885]
_cell_angle_alpha [90.0000]
_cell... |
mp-867297 | AcIn3 | data_[Ac2In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.2164]
_cell_length_b [7.2164]
_cell_length_c [5.2519]
_cell_angle_alpha [90.0000]
_ce... |
mp-1018825 | NdPbAu | data_[Nd2Pb2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.8945]
_cell_length_b [4.8945]
_cell_length_c [7.7066]... |
mp-2152 | YNi5 | data_[Y1Ni5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.8823]
_cell_length_b [4.8823]
_cell_length_c [3.9423]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1225298 | Eu2P3Pt4 | data_[Eu4P6Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
P 2.1900 1.0000 0.5500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1713]
_cell_length_b [4.1713]
_cell_length_c [19.2704]
_ce... |
mp-776655 | Ti2O3 | data_[Ti8O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.1678]
_cell_length_b [5.1678]
_cell_length_c [9.6076]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-12266 | CaCuF4 | data_[Ca4Cu4F16]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.4834]
_cell_length_b [5.4834]
_cell_length_c [10.4128]
_... |
mp-1187984 | Zr2FeTc | data_[Zr8Fe4Tc4]
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
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4862]
_cell_length_b [6.4862]
_cell_length_c [6.4862]
_c... |
mp-1215781 | Yb4Ge3Au5 | data_[Yb8Ge6Au10]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.7034]
_cell_length_b [4.5376]
_cell_length_c [10.6494]
_c... |
mp-30708 | HfNi2 | data_[Hf8Ni16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [6.9127]
_cell_length_b [6.9127]
_cell_length_c [6.9127]
_cell_angle_alpha [90.0000]
_cell... |
mp-1224418 | Hf2(SeS)3 | data_[Hf2Se3S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3865]
_cell_length_b [3.6918]
_cell_length_c [9.5636]
_cell_a... |
mp-753888 | Li3MnFe3O8 | data_[Li6Mn2Fe6O16]
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 [C2/m]
_cell_length_a [10.2986]
_cell_length_b [5.9... |
mp-1104325 | Tb3Zn11 | data_[Tb6Zn22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4369]
_cell_length_b [8.7959]
_cell_length_c [13.0013]
_cell_angle_alpha [90.0000]
_cell... |
mp-37657 | Ca3SiO5 | data_[Ca6Si2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [7.2509]
_cell_length_b [7.2509]
_cell_length_c [5.5578]
_c... |
mvc-15363 | SnO2 | data_[Sn8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.7466]
_cell_length_b [10.7466]
_cell_length_c [3.2325]
_cell_angle_alpha [90.0000]
_cell_... |
mp-30772 | NdMg12 | data_[Nd2Mg24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [10.2289]
_cell_length_b [10.2289]
_cell_length_c [6.0145]
_cell_angle_alpha [90.0000]
_c... |
mp-752498 | Li2VOF5 | data_[Li4V2O2F10]
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 [Imm2]
_cell_length_a [6.1408]
_cell_length_b [6.4153]
... |
mp-1223371 | La2Al3GaPd4 | data_[La2Al3Ga1Pd4]
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
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4258]
_cell_length_b [4.... |
mp-1218931 | SnPtS | data_[Sn4Pt4S4]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.2078]
_cell_length_b [6.2078]
_cell_length_c [6.2078]
_cel... |
mp-11649 | Ca3SiO | data_[Ca12Si4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6779]
_cell_length_b [9.4570]
_cell_length_c [6.6964]
_cel... |
mp-9510 | Tl2PAuS4 | data_[Tl4P2Au2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
P 2.1900 1.0000 0.5500
Au 2.5400 1.3500 1.0700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6257]
_cell_length_b [6.842... |
mp-961706 | TiSiPt | data_[Ti4Si4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.8995]
_cell_length_b [5.8995]
_cell_length_c [5.8995]
_c... |
mp-20301 | La2Pd2Pb | data_[La4Pd4Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.0426]
_cell_length_b [8.0426]
_cell_length_c [3.9699]
_... |
mp-1215936 | Zr3Ti(PbO3)4 | data_[Zr3Ti1Pb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.2502]
_cell_length_b [11.728... |
mp-1238893 | TiCrAgS4 | data_[Ti4Cr4Ag4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I2_12_12_1]
_cell_length_a [7.2813]
_cell_length_b... |
mp-752468 | LiMn3O5F | data_[Li1Mn3O5F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9533]
_cell_length_b [5.0924]
_... |
mp-2824 | AlPd2 | data_[Al4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.4803]
_cell_length_b [4.1215]
_cell_length_c [7.8510]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-20050 | InP3 | data_[In6P18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5223]
_cell_length_b [7.5223]
_cell_length_c [10.1612]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-9172 | Li4TiO4 | data_[Li16Ti4O16]
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 [Cmcm]
_cell_length_a [7.9961]
_cell_length_b [7.4857]
_cell_length_c [6.2038]
_ce... |
mp-2194 | TiSe2 | data_[Ti1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.5443]
_cell_length_b [3.5443]
_cell_length_c [6.6938]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1101053 | SmCo3 | data_[Sm9Co27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0359]
_cell_length_b [5.0359]
_cell_length_c [24.7463]
_cell_angle_alpha [90.0000]
_cell... |
mp-38008 | Li2CdCl4 | data_[Li8Cd4Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cd 1.6900 1.5500 1.0900
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.5833]
_cell_length_b [7.7659]
_cell_length_c [10.5965]
_... |
mp-1205788 | HoMgTl | data_[Ho3Mg3Tl3]
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
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5200]
_cell_length_b [7.5200]
_cell_length_c [4.6856]
_c... |
mp-1220676 | Nb3IrSe8 | data_[Nb6Ir2Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ir 2.2000 1.3500 0.7650
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8466]
_cell_length_b [6.8453]
_cell_length_c [9.0257]
_... |
mp-2061 | ThTl3 | data_[Th1Tl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8418]
_cell_length_b [4.8418]
_cell_length_c [4.8418]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1224090 | HoAlCo | data_[Ho8Al8Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.3806]
_cell_length_b [5.3894]
_cell_length_c [9.1665]
_ce... |
mp-1217311 | ThUS2 | data_[Th3U3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
U 1.3800 1.7500 0.9913
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8813]
_cell_length_b [3.8813]
_cell_length_c [20.1290]
_cell_... |
mp-1018063 | ErH3 | data_[Er4H12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.0925]
_cell_length_b [5.0925]
_cell_length_c [5.0925]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1106048 | Ce(BRh)4 | data_[Ce2B8Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [5.3517]
_cell_length_b [5.3517]
_cell_length_c [7.5075]
_... |
mp-9983 | Ta2Se3 | data_[Ta4Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6286]
_cell_length_b [3.4274]
_cell_length_c [9.3109]
_cell_angle_alpha [90.0000]
_cell... |
mp-1189465 | Tm2Co7 | data_[Tm12Co42]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9290]
_cell_length_b [4.9290]
_cell_length_c [36.0885]
_cell_angle_alpha [90.0000]
_cel... |
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