Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1185223 | LaTb3 | data_[La2Tb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tb 1.1000 1.7500 0.9815
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1322]
_cell_length_b [5.1322]
_cell_length_c [10.1886]
_cell_angle_alpha [90.0000]
_cel... |
mp-1219491 | ReW3 | data_[Re2W6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.1575]
_cell_length_b [4.4907]
_cell_length_c [8.9797]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-571471 | NbCoTe2 | data_[Nb4Co4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.4283]
_cell_length_b [6.3717]
_cell_length_c [7.8115]
_... |
mp-862667 | LiAc2Ge | data_[Li4Ac8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ac 1.1000 1.9500 1.2600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8214]
_cell_length_b [7.8214]
_cell_length_c [7.8214]
_c... |
mp-560333 | Ta2Te4Br10O | data_[Ta2Te4Br10O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4550]
_cell_length_b [8.916... |
mp-5518 | GaAgSe2 | data_[Ga4Ag4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.0600]
_cell_length_b [6.0600]
_cell_length_c [11.2701]
_... |
mp-974387 | Nd2AgHg | data_[Nd8Ag4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6061]
_cell_length_b [7.6061]
_cell_length_c [7.6061]
_c... |
mp-754540 | CaPbI4 | data_[Ca1Pb1I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pb 2.3300 1.8000 1.1225
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3710]
_cell_length_b [4.5950]
_cell_length_c [8.0227]
_cell... |
mp-20073 | TiFeO3 | data_[Ti4Fe4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.2911]
_cell_length_b [7.5404]
_cell_length_c [5.2328]
_cel... |
mp-558383 | Na2CrF4 | data_[Na4Cr2F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [3.3990]
_cell_length_b [9.7023]
_cell_length_c [5.7455]
_ce... |
mp-510401 | GdP | data_[Gd4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7201]
_cell_length_b [5.7201]
_cell_length_c [5.7201]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1299294 | SrNiO3 | data_[Sr12Ni12O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5045]
_cell_length_b [5.5045]
_cell_length_c [27.2679]
_... |
mp-1189870 | Ca5Ga3 | data_[Ca20Ga12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.9539]
_cell_length_b [7.9539]
_cell_length_c [14.9052]
_cell_angle_alpha [90.0000]
_c... |
mp-8577 | Sc3GaC | data_[Sc3Ga1C1]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4832]
_cell_length_b [4.4832]
_cell_length_c [4.4832]
_cel... |
mp-1215946 | YU2O6 | data_[Y2U4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8210]
_cell_length_b [5.3896]
_cell_length_c [11.3535]
_cell_a... |
mp-1222719 | LaTiSbO6 | data_[La1Ti1Sb1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ti 1.5400 1.4000 0.8517
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.2909]
_cell_length_b [5.290... |
mp-1188151 | SmGa2Co3 | data_[Sm3Ga6Co9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [9.0525]
_cell_length_b [9.0525]
_cell_length_c [3.8501]
_... |
mp-636291 | PuGa6 | data_[Pu2Ga12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/nbm]
_cell_length_a [5.8935]
_cell_length_b [5.8935]
_cell_length_c [7.6876]
_cell_angle_alpha [90.0000]
_cel... |
mp-754041 | Gd2HfO5 | data_[Gd8Hf4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Hf 1.3000 1.5500 0.8500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1479]
_cell_length_b [11.4218]
_cell_length_c [10.9726]
_c... |
mp-676296 | U(BiO2)4 | data_[U2Bi8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8456]
_cell_length_b [3.9544]
_cell_length_c [28.3285]
_cell... |
mp-1226230 | CrFe4 | data_[Cr4Fe16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [2.8508]
_cell_length_b [3.9943]
_cell_length_c [20.1113]
_cell_angle_alpha [90.0000]
_cell... |
mp-996962 | LiAgO2 | data_[Li2Ag2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.7751]
_cell_length_b [3.7685]
_cell_length_c [5.4011]
_ce... |
mp-977126 | Li3Ag | data_[Li6Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.8148]
_cell_length_b [5.8148]
_cell_length_c [4.7036]
_cell_angle_alpha [90.0000]
_ce... |
mp-865152 | MgAlPd2 | data_[Mg4Al4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2465]
_cell_length_b [6.2465]
_cell_length_c [6.2465]
_c... |
mp-1094604 | LiMg2 | data_[Li4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.3962]
_cell_length_b [3.1940]
_cell_length_c [7.4361]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-753515 | Sb3O4F | data_[Sb12O16F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [17.8159]
_cell_length_b [5.4554]
_cell_length_c [5.6619]
_cell_... |
mp-753304 | Hg | data_[Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.0708]
_cell_length_b [5.0708]
_cell_length_c [5.0708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-3053 | DyAlNi | data_[Dy3Al3Ni3]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.9312]
_cell_length_b [6.9312]
_cell_length_c [3.9154]
_c... |
mp-1026927 | Mo3W(SeS)4 | data_[Mo3W1Se4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2523]
_cell_length_b [3.2523]... |
mp-756500 | Sr2CaI6 | data_[Sr8Ca4I24]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [25.4055]
_cell_length_b [7.6518]
_cell_length_c [8.7711]
_ce... |
mp-1223946 | Hf2Ga3Ni | data_[Hf4Ga6Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7434]
_cell_length_b [4.1548]
_cell_length_c [6.4429]
_cell... |
mp-1221281 | Na2UI6 | data_[Na6U3I18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
U 1.3800 1.7500 0.9913
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.9187]
_cell_length_b [7.9187]
_cell_length_c [21.9545]
_cell_a... |
mp-1119334 | W(BrO)2 | data_[W2Br4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [7.7013]
_cell_length_b [9.0066]
_cell_length_c [3.8515]
_cell_a... |
mp-1094676 | Mg3Bi | data_[Mg6Bi2]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6336]
_cell_length_b [4.6336]
_cell_length_c [9.2646]
_cell_angle_alpha [90.0000]
_cell... |
mp-1078829 | Gd2Cl3 | data_[Gd8Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2764]
_cell_length_b [3.9185]
_cell_length_c [10.1720]
_cell_angle_alpha [90.0000]
_cel... |
mp-6944 | LiTiO2 | data_[Li16Ti16O32]
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 [Fd-3m]
_cell_length_a [8.3893]
_cell_length_b [8.3893]
_cell_length_c [8.3893]
_... |
mp-10328 | LaCrS3 | data_[La4Cr4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8837]
_cell_length_b [3.8289]
_cell_length_c [13.1407]
_ce... |
mvc-2186 | TeO3 | data_[Te4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.2733]
_cell_length_b [7.3763]
_cell_length_c [5.1070]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1104183 | Mn(BiSe2)2 | data_[Mn4Bi8Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Bi 2.0200 1.6000 1.0350
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3496]
_cell_length_b [4.1134]
_cell_length_c [15.3989]
... |
mp-1227879 | Ce10(NiSn)3 | data_[Ce40Ni12Sn12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [10.7511]
_cell_length_b [12.8135]
_cell_length_c [11.793... |
mp-1104141 | Ga2PbSe4 | data_[Ga8Pb4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [6.3450]
_cell_length_b [10.9669]
_cell_length_c [11.0642]
... |
mp-1025242 | ScGa5Co | data_[Sc1Ga5Co1]
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
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1560]
_cell_length_b [4.1560]
_cell_length_c [6.6240]
_... |
mp-1025278 | V2CrTe4 | data_[V4Cr2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1254]
_cell_length_b [3.9467]
_cell_length_c [6.8270]
_cel... |
mp-1188644 | Lu5In3 | data_[Lu10In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.8615]
_cell_length_b [8.8615]
_cell_length_c [6.5006]
_cell_angle_alpha [90.0000]
_c... |
mp-765804 | Li6VF8 | data_[Li24V4F32]
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 [Fm-3m]
_cell_length_a [8.3988]
_cell_length_b [8.3988]
_cell_length_c [8.3988]
_cel... |
mp-753222 | Fe2CoO4 | data_[Fe16Co8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.5633]
_cell_length_b [8.5633]
_cell_length_c [8.5633]
_c... |
mp-975515 | NdLuMg2 | data_[Nd4Lu4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Lu 1.2700 1.7500 1.0010
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6120]
_cell_length_b [7.6120]
_cell_length_c [7.6120]
_c... |
mp-1070646 | Dy2AlNi2 | data_[Dy4Al2Ni4]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0703]
_cell_length_b [5.4836]
_cell_length_c [8.4173]
_ce... |
mp-715474 | MoO3 | data_[Mo4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [9.1895]
_cell_length_b [5.2037]
_cell_length_c [5.3209]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-1025158 | K2PuO4 | data_[K4Pu2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pu 1.2800 1.7500 0.9675
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3393]
_cell_length_b [4.3393]
_cell_length_c [13.3579]
_cel... |
mp-1215223 | ZrNbB2 | data_[Zr2Nb2B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Nb 1.6000 1.4500 0.8200
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.1930]
_cell_length_b [3.4269]
_cell_length_c [9.1839]
_cell... |
mp-1258114 | Ca2AlMoO5 | data_[Ca8Al4Mo4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [15.4152]
_cell_length_b [5.934... |
mp-772822 | Li3Cu3TeO8 | data_[Li9Cu9Te3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0634]
_cell_length_b [6.06... |
mp-1039222 | MgCd | data_[Mg6Cd6]
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 [Cm]
_cell_length_a [11.7085]
_cell_length_b [3.1982]
_cell_length_c [7.3141]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-8812 | Rb2GeF6 | data_[Rb8Ge4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ge 2.0100 1.2500 0.7700
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7300]
_cell_length_b [8.7300]
_cell_length_c [8.7300]
_ce... |
mp-865948 | Ti2ReRh | data_[Ti8Re4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Re 1.9000 1.3500 0.7125
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2235]
_cell_length_b [6.2235]
_cell_length_c [6.2235]
_c... |
mp-554811 | TbVO3 | data_[Tb4V4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7507]
_cell_length_b [7.6642]
_cell_length_c [5.3511]
_cell_... |
mp-1223231 | KTl(CoSe)4 | data_[K1Tl1Co4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tl 1.6200 1.9000 1.3325
Co 1.8800 1.3500 0.7683
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8906]
_cell_length_b [3.8... |
mp-7573 | Co(BW)2 | data_[Co2B4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1871]
_cell_length_b [4.5810]
_cell_length_c [7.1182]
_cell_a... |
mp-35205 | LiErSe2 | data_[Li4Er4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Er 1.2400 1.7500 1.0300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.6495]
_cell_length_b [5.6495]
_cell_length_c [11.5323... |
mp-11722 | PrGe2 | data_[Pr4Ge8]
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
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.1952]
_cell_length_b [4.1952]
_cell_length_c [16.2588]
_cell_angle_alpha [90.0000]
_c... |
mp-646586 | Sm6InCo2 | data_[Sm24In4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.5099]
_cell_length_b [9.9467]
_cell_length_c [10.1483]
_... |
mp-753550 | Mn5O5F | data_[Mn5O5F1]
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 [3.5370]
_cell_length_b [3.5370]
_cell_length_c [14.3226]
_cell_... |
mp-20730 | HfCo2Sn | data_[Hf4Co8Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2527]
_cell_length_b [6.2527]
_cell_length_c [6.2527]
_c... |
mp-866067 | Nd2CdIn | data_[Nd8Cd4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7539]
_cell_length_b [7.7539]
_cell_length_c [7.7539]
_c... |
mp-3633 | Er(Al2Fe)4 | data_[Er2Al16Fe8]
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
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.6767]
_cell_length_b [8.6767]
_cell_length_c [5.0173]
... |
mp-30851 | Ti3Pt5 | data_[Ti12Pt20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.4938]
_cell_length_b [11.0700]
_cell_length_c [8.2565]
_cell_angle_alpha [90.0000]
_cel... |
mp-23818 | BaLiH3 | data_[Ba1Li1H3]
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
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0188]
_cell_length_b [4.0188]
_cell_length_c [4.0188]
_cel... |
mp-1219286 | ScSb(PbO3)2 | data_[Sc2Sb2Pb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Sb 2.0500 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.7794]
_cell_length_b [8.18... |
mp-1019279 | SrZnSn | data_[Sr2Zn2Sn2]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.6705]
_cell_length_b [4.6705]
_cell_length_c [9.1097]... |
mp-1025478 | TbAu3 | data_[Tb2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.0867]
_cell_length_b [6.1785]
_cell_length_c [5.2078]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1516784 | Sr2CeBiO6 | data_[Sr4Ce2Bi2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ce 1.1200 1.8500 1.0800
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0322]
_cell_length_b [6.... |
mp-1227842 | BaLaTiFeO6 | data_[Ba4La4Ti4Fe4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-998227 | KHfO3 | data_[K1Hf1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Hf 1.3000 1.5500 0.8500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1780]
_cell_length_b [4.1780]
_cell_length_c [4.1780]
_cell_... |
mp-863696 | Pm2MgSi | data_[Pm8Mg4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3711]
_cell_length_b [7.3711]
_cell_length_c [7.3711]
_c... |
mp-1207913 | UNbN2 | data_[U4Nb4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Nb 1.6000 1.4500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6717]
_cell_length_b [3.2408]
_cell_length_c [11.0620]
_cell_... |
mp-1008865 | NdCd2 | data_[Nd1Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.1131]
_cell_length_b [5.1131]
_cell_length_c [3.4523]
_cell_angle_alpha [90.0000]
_cell... |
mp-1186774 | SrYb3 | data_[Sr1Yb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Yb 1.1000 1.7500 1.0840
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.5870]
_cell_length_b [5.5870]
_cell_length_c [5.5870]
_cell_angle_alpha [90.0000]
_cell_... |
mp-755577 | Li3Mn4CoO8 | data_[Li6Mn8Co2O16]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3753]
_cell_length_b [6.1... |
mp-978564 | SmYTl2 | data_[Sm4Y4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6671]
_cell_length_b [7.6671]
_cell_length_c [7.6671]
_cel... |
mp-19044 | Na2FeO4 | data_[Na8Fe4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.8899]
_cell_length_b [9.3460]
_cell_length_c [7.2250]
_cel... |
mp-14474 | Ta2PtSe7 | data_[Ta8Pt4Se28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Pt 2.2800 1.3500 0.8050
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6962]
_cell_length_b [3.5739]
_cell_length_c [18.9959]
... |
mp-753683 | Sn2OF2 | data_[Sn8O4F8]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [8.0411]
_cell_length_b [8.0411]
_cell_length_c [5.6457]
_ce... |
mp-756243 | Li2MnF5 | data_[Li8Mn4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1009]
_cell_length_b [9.8794]
_cell_length_c [9.7293]
_cel... |
mp-10739 | TiPRu | data_[Ti3P3Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.2671]
_cell_length_b [6.2671]
_cell_length_c [3.6730]
_cel... |
mp-1211240 | KThTi2O6 | data_[K1Th1Ti2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Th 1.3000 1.8000 1.0800
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9563]
_cell_length_b [3.956... |
mp-36508 | SnHgF6 | data_[Sn3Hg3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.6249]
_cell_length_b [5.6249]
_cell_length_c [15.3054]
_cel... |
mp-21263 | PuSb | data_[Pu1Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7698]
_cell_length_b [3.7698]
_cell_length_c [3.7698]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1518025 | BaCaInBiO6 | data_[Ba2Ca2In2Bi2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_... |
mp-16796 | Sr2GdRuO6 | data_[Sr4Gd2Ru2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Gd 1.2000 1.8000 1.0750
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8374]
_cell_length_b [5.... |
mp-790 | LuPt3 | data_[Lu1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0778]
_cell_length_b [4.0778]
_cell_length_c [4.0778]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1209219 | RbNbCl6 | data_[Rb4Nb4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Nb 1.6000 1.4500 0.8200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4431]
_cell_length_b [6.5342]
_cell_length_c [12.6297]
... |
mp-505604 | GdNiO3 | data_[Gd4Ni4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5681]
_cell_length_b [7.5888]
_cell_length_c [5.3071]
_cel... |
mp-1187571 | YbHoPt2 | data_[Yb4Ho4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ho 1.2300 1.7500 1.0410
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9085]
_cell_length_b [6.9085]
_cell_length_c [6.9085]
_c... |
mp-1218739 | Sr2NbGaO6 | data_[Sr8Nb4Ga4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Nb 1.6000 1.4500 0.8200
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0004]
_cell_length_b [8.0... |
mp-1229172 | Cs2GaFeS4 | data_[Cs4Ga2Fe2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.5739]
_cell_length_b [12.4545... |
mp-1079244 | EuGa | data_[Eu4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8565]
_cell_length_b [6.2608]
_cell_length_c [6.4998]
_cell_angle_alpha [68.1363]
_cell_an... |
mp-1188995 | Cr2B2Ir | data_[Cr8B8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [7.2073]
_cell_length_b [9.3330]
_cell_length_c [2.9056]
_cell... |
mp-865108 | NaSmHg2 | data_[Na4Sm4Hg8]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4318]
_cell_length_b [7.4318]
_cell_length_c [7.4318]
_c... |
mp-1224385 | HfAlPd | data_[Hf8Al8Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.4071]
_cell_length_b [5.3506]
_cell_length_c [9.1307]
_ce... |
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