Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-755453 | MnP4 | data_[Mn8P32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.1231]
_cell_length_b [10.6055]
_cell_length_c [11.0853]
_cell_angle_alpha [90.0000]
_cell_... |
mp-7432 | Sr(CdSb)2 | data_[Sr1Cd2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7972]
_cell_length_b [4.7972]
_cell_length_c [7.9056]
_c... |
mp-861875 | LiHf2Re | data_[Li4Hf8Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Hf 1.3000 1.5500 0.8500
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5669]
_cell_length_b [6.5669]
_cell_length_c [6.5669]
_c... |
mp-1229031 | AgPd2Au | data_[Ag3Pd6Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.8748]
_cell_length_b [2.8748]
_cell_length_c [27.9699]
_ce... |
mp-1219667 | PuGa | data_[Pu1Ga1]
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/mmm]
_cell_length_a [3.0881]
_cell_length_b [3.0881]
_cell_length_c [4.5075]
_cell_angle_alpha [90.0000]
_cell... |
mp-1101049 | Ti5TlS8 | data_[Ti10Tl2S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8699]
_cell_length_b [3.5128]
_cell_length_c [8.8303]
_c... |
mp-21003 | Y2ReC2 | data_[Y8Re4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Re 1.9000 1.3500 0.7125
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5952]
_cell_length_b [5.1299]
_cell_length_c [9.9098]
_cell_a... |
mp-866181 | Li2NdIn | data_[Li8Nd4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0070]
_cell_length_b [7.0070]
_cell_length_c [7.0070]
_c... |
mp-4093 | Cu3(PO4)2 | data_[Cu3P2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9092]
_cell_length_b [5.6109]
_cell_length_c [6.2504]
_cell_an... |
mp-4595 | VFe2Si | data_[V4Fe8Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6263]
_cell_length_b [5.6263]
_cell_length_c [5.6263]
_cel... |
mp-4854 | NdScGe | data_[Nd4Sc4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sc 1.3600 1.6000 0.8850
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3258]
_cell_length_b [4.3258]
_cell_length_c [16.0231]
... |
mp-1227831 | BaSr3(CoO3)4 | data_[Ba1Sr3Co4O12]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.7668]
_cell_length_b [5.53... |
mp-1224994 | GaCuTeSe | data_[Ga4Cu4Te4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I2_12_12_1]
_cell_length_a [5.8849]
_cell_length_... |
mp-1103515 | Na2U(TeO5)2 | data_[Na4U2Te4O20]
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
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9500]
_cell_length_b [3.934... |
mp-1215353 | Zr4GeSb7 | data_[Zr4Ge1Sb7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.3808]
_cell_length_b [3.9931]
_cell_length_c [9.6827]
_cell... |
mp-1111000 | Na3TlF6 | data_[Na12Tl4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7522]
_cell_length_b [8.7522]
_cell_length_c [8.7522]
_c... |
mp-7818 | Pd4Se | data_[Pd8Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-42_1c]
_cell_length_a [5.3148]
_cell_length_b [5.3148]
_cell_length_c [5.7624]
_cell_angle_alpha [90.0000]
_cel... |
mp-1205785 | LuMn2SiC | data_[Lu4Mn8Si4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6365]
_cell_length_b [10.55... |
mp-3161 | LiAlSi | data_[Li4Al4Si4]
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
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.9385]
_cell_length_b [5.9385]
_cell_length_c [5.9385]
_c... |
mp-1013527 | BeGeP2 | data_[Be4Ge4P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Ge 2.0100 1.2500 0.7700
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.2265]
_cell_length_b [5.2265]
_cell_length_c [10.4263]
_ce... |
mp-1177394 | Li4Mn3CrO8 | data_[Li8Mn6Cr2O16]
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
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6355]
_cell_length_b [5.8... |
mp-984769 | CaTl2Cd | data_[Ca4Tl8Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6181]
_cell_length_b [7.6181]
_cell_length_c [7.6181]
_c... |
mp-582736 | Eu(MgSb)2 | data_[Eu1Mg2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Mg 1.3100 1.5000 0.8600
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7426]
_cell_length_b [4.7426]
_cell_length_c [7.7369]
_c... |
mp-1185885 | MgHg5 | data_[Mg1Hg5]
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
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.7081]
_cell_length_b [3.7081]
_cell_length_c [13.1581]
_cell_angle_alpha [90.0000]
_cell... |
mp-22460 | LiIn | data_[Li8In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [6.8996]
_cell_length_b [6.8996]
_cell_length_c [6.8996]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1228079 | Ba3Sr(SnO3)4 | data_[Ba3Sr1Sn4O12]
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
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.1714]
_cell_length_b [5.90... |
mp-762390 | LiV5O10 | data_[Li1V5O10]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1119]
_cell_length_b [5.1482]
_cell_length_c [7.8142]
_cell_an... |
mp-976972 | HoTmCu2 | data_[Ho4Tm4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8562]
_cell_length_b [6.8562]
_cell_length_c [6.8562]
_c... |
mp-31057 | Ho3InN | data_[Ho3In1N1]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7888]
_cell_length_b [4.7888]
_cell_length_c [4.7888]
_cel... |
mp-1225887 | CsLiZnS2 | data_[Cs2Li2Zn2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0854]
_cell_length_b [4.08... |
mp-1221109 | Nd4FeSn8 | data_[Nd4Fe1Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Fe 1.8300 1.4000 0.8525
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.5049]
_cell_length_b [4.5709]
_cell_length_c [16.9599]
_c... |
mp-1219387 | Sm(GaFe)6 | data_[Sm2Ga12Fe12]
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
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0458]
_cell_length_b [8.6010]
_cell_length_c [8.6991]
_... |
mp-1112967 | Cs3TmCl6 | data_[Cs12Tm4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tm 1.2500 1.7500 1.0950
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.7789]
_cell_length_b [11.7789]
_cell_length_c [11.778... |
mp-20785 | Nd(FeGe)2 | data_[Nd2Fe4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0329]
_cell_length_b [4.0329]
_cell_length_c [10.7755]
... |
mp-1225833 | CsZnFeF6 | data_[Cs4Zn4Fe4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.4532]
_cell_length_b [7.51... |
mp-862683 | Ac2GaCu | data_[Ac8Ga4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6628]
_cell_length_b [7.6628]
_cell_length_c [7.6628]
_c... |
mp-567771 | Ba(Si3N4)2 | data_[Ba2Si12N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Si 1.9000 1.1000 0.5400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [7.9921]
_cell_length_b [9.4248]
_cell_length_c [4.8716]
_ce... |
mp-30818 | Li2AlPt | data_[Li8Al4Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0535]
_cell_length_b [6.0535]
_cell_length_c [6.0535]
_c... |
mp-8762 | Er2S2O | data_[Er8S8O4]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2240]
_cell_length_b [6.8403]
_cell_length_c [6.8265]
_cell... |
mp-556584 | Pm2O3 | data_[Pm12O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4808]
_cell_length_b [3.6550]
_cell_length_c [8.9733]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1221415 | Na(Ti3Se4)2 | data_[Na1Ti6Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ti 1.5400 1.4000 0.8517
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.8466]
_cell_length_b [9.8466]
_cell_length_c [3.5955]
_cel... |
mp-1183083 | Ac3Y | data_[Ac6Y2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.5173]
_cell_length_b [5.5173]
_cell_length_c [11.0211]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1095370 | BiPdSe | data_[Bi4Pd4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.5369]
_cell_length_b [6.5369]
_cell_length_c [6.5369]
_c... |
mp-570863 | CrCoPt2 | data_[Cr1Co1Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Co 1.8800 1.3500 0.7683
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8169]
_cell_length_b [3.8169]
_cell_length_c [3.7555]
_... |
mp-5682 | Th(SiNi)2 | data_[Th2Si4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0681]
_cell_length_b [4.0681]
_cell_length_c [9.5508]
_... |
mp-1094322 | MgTi5 | data_[Mg1Ti5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.9587]
_cell_length_b [2.9587]
_cell_length_c [14.3234]
_cell_angle_alpha [90.0000]
_cell... |
mp-1106351 | Nd(As3Os)4 | data_[Nd2As24Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
As 2.1800 1.1500 0.6600
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.6532]
_cell_length_b [8.6532]
_cell_length_c [8.6532]
_c... |
mp-862925 | PmInPt2 | data_[Pm4In4Pt8]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9223]
_cell_length_b [6.9223]
_cell_length_c [6.9223]
_c... |
mp-8954 | TaSe2 | data_[Ta4Se8]
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 [Fmm2]
_cell_length_a [3.4742]
_cell_length_b [24.4610]
_cell_length_c [6.0204]
_cell_angle_alpha [90.0000]
_cell_... |
mp-30493 | ZnCdPt2 | data_[Zn1Cd1Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.9541]
_cell_length_b [2.9541]
_cell_length_c [7.3874]
_... |
mp-865426 | YbNdAg2 | data_[Yb4Nd4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Nd 1.1400 1.8500 1.2765
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4232]
_cell_length_b [7.4232]
_cell_length_c [7.4232]
_c... |
mp-1080768 | LuSnPd | data_[Lu3Sn3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6182]
_cell_length_b [7.6182]
_cell_length_c [3.7925]
_c... |
mp-1187373 | TbPr3 | data_[Tb2Pr6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.3797]
_cell_length_b [7.3797]
_cell_length_c [6.0572]
_cell_angle_alpha [90.0000]
_ce... |
mp-85 | In | data_[In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.7961]
_cell_length_b [4.7961]
_cell_length_c [4.7961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-1070356 | Rb2Te2Pd | data_[Rb4Te4Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Te 2.1000 1.4000 1.2933
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1262]
_cell_length_b [8.1788]
_cell_length_c [10.8492]
_c... |
mp-1186140 | NaInPd2 | data_[Na4In4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5785]
_cell_length_b [6.5785]
_cell_length_c [6.5785]
_c... |
mp-1079260 | InSe | data_[In4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.0965]
_cell_length_b [4.0965]
_cell_length_c [18.3434]
_cell_angle_alpha [90.0000]
_cell... |
mp-1079988 | La2Al2Ge | data_[La8Al8Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1340]
_cell_length_b [27.1648]
_cell_length_c [4.5959]
_c... |
mp-1106279 | BiI3 | data_[Bi4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.1282]
_cell_length_b [13.2763]
_cell_length_c [8.0317]
_cell_angle_alpha [90.0000]
_cell... |
mp-22717 | CaIn2Pd | data_[Ca4In8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5112]
_cell_length_b [10.4843]
_cell_length_c [7.9242]
_c... |
mp-1217942 | TaNbTe4 | data_[Ta3Nb3Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Nb 1.6000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.3546]
_cell_length_b [7.7914]
_cell_length_c [9.9194]
_cel... |
mp-3822 | SrCO3 | data_[Sr4C4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.1369]
_cell_length_b [5.1632]
_cell_length_c [8.5113]
_cell_... |
mp-30650 | Mg2Ga | data_[Mg12Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-62c]
_cell_length_a [7.7775]
_cell_length_b [7.7775]
_cell_length_c [7.0075]
_cell_angle_alpha [90.0000]
_cell... |
mp-1975 | TmN | data_[Tm4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.8124]
_cell_length_b [4.8124]
_cell_length_c [4.8124]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1078693 | BaCdSbF | data_[Ba2Cd2Sb2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cd 1.6900 1.5500 1.0900
Sb 2.0500 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.6627]
_cell_length_b [4.6... |
mp-1222938 | LaCePt2 | data_[La2Ce2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ce 1.1200 1.8500 1.0800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.4949]
_cell_length_b [3.8972]
_cell_length_c [11.2330]
_c... |
mp-19985 | TlIn(PSe3)2 | data_[Tl2In2P4Se12]
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
P 2.1900 1.0000 0.5500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6056]
_cell_length_b [8.120... |
mp-1181033 | HoB2Ru | data_[Ho4B8Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
B 2.0400 0.8500 0.4100
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9011]
_cell_length_b [5.3058]
_cell_length_c [6.3456]
_cell... |
mp-1176519 | LiVO2 | data_[Li2V2O4]
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
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [2.9634]
_cell_length_b [2.9634]
_cell_length_c [10.0829]
_cel... |
mp-759764 | W(OF)2 | data_[W2O4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [6.6087]
_cell_length_b [3.8885]
_cell_length_c [7.7207]
_cell_a... |
mp-1207160 | Rb2SbCl6 | data_[Rb8Sb4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.4843]
_cell_length_b [10.4843]
_cell_length_c [10.4843... |
mp-1220866 | NaSn2Pd3 | data_[Na1Sn2Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [5.8175]
_cell_length_b [5.8175]
_cell_length_c [4.3289]
_ce... |
mp-862379 | Sc2TcAg | data_[Sc8Tc4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tc 1.9000 1.3500 0.7417
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6485]
_cell_length_b [6.6485]
_cell_length_c [6.6485]
_c... |
mp-1184708 | GeBr2 | data_[Ge2Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [6.7548]
_cell_length_b [6.7548]
_cell_length_c [4.1300]
_cell_angle_alpha [90.0000]
_ce... |
mp-31447 | TbAgPb | data_[Tb2Ag2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.8368]
_cell_length_b [4.8368]
_cell_length_c [7.5406]
_... |
mp-865438 | LuTlRh2 | data_[Lu4Tl4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Tl 1.6200 1.9000 1.3325
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6355]
_cell_length_b [6.6355]
_cell_length_c [6.6355]
_c... |
mp-1080508 | La(GePt)2 | data_[La2Ge16Pt16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4272]
_cell_length_b [10.1156]
_cell_length_c [4.4381]
_c... |
mp-781081 | VOF3 | data_[V2O2F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.5208]
_cell_length_b [5.4003]
_cell_length_c [5.5838]
_cell_ang... |
mp-1184973 | Li2TlSb | data_[Li8Tl4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0778]
_cell_length_b [7.0778]
_cell_length_c [7.0778]
_c... |
mp-1522279 | BaCaLaBiO6 | data_[Ba2Ca2La2Bi2O12]
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
La 1.1000 1.9500 1.1720
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-568264 | SiSe2 | data_[Si4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.5979]
_cell_length_b [10.9283]
_cell_length_c [5.9320]
_cell_angle_alpha [90.0000]
_cell_... |
mp-23548 | AgBiO3 | data_[Ag6Bi6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.7781]
_cell_length_b [5.7781]
_cell_length_c [16.0442]
_cel... |
mp-568006 | DyFe5 | data_[Dy1Fe5]
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
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0065]
_cell_length_b [5.0065]
_cell_length_c [3.9531]
_cell_angle_alpha [90.0000]
_cell... |
mp-1018783 | LiBeB | data_[Li2Be2B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Be 1.5700 1.0500 0.5900
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.7056]
_cell_length_b [3.0013]
_cell_length_c [5.6939]
_ce... |
mp-1226653 | CePt2Au3 | data_[Ce2Pt4Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.4818]
_cell_length_b [5.5406]
_cell_length_c [7.6946]
_ce... |
mp-1208858 | Sr2DyBiO6 | data_[Sr4Dy2Bi2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Dy 1.2200 1.7500 1.1310
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 [5.9382]
_cell_length_b [6.... |
mp-756979 | Rb3ClO | data_[Rb12Cl4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.7379]
_cell_length_b [10.9589]
_cell_length_c [7.7189]
_ce... |
mp-1105394 | Sr2HoMoO6 | data_[Sr4Ho2Mo2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ho 1.2300 1.7500 1.0410
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8357]
_cell_length_b [5.... |
mp-1185265 | Li3Sn | data_[Li12Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5753]
_cell_length_b [6.5753]
_cell_length_c [6.5753]
_cell_angle_alpha [90.0000]
_cell... |
mp-541753 | Cs2WBr6 | data_[Cs8W4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
W 2.3600 1.3500 0.7667
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.1388]
_cell_length_b [11.1388]
_cell_length_c [11.1388]
... |
mp-1112173 | KAuCl3 | data_[K1Au1Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1385]
_cell_length_b [5.1385]
_cell_length_c [5.1385]
_cel... |
mp-759093 | LiMnF3 | data_[Li4Mn4F12]
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 [Pnna]
_cell_length_a [5.3855]
_cell_length_b [5.0482]
_cell_length_c [9.0070]
_cel... |
mp-22691 | InSe | data_[In6Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0949]
_cell_length_b [4.0949]
_cell_length_c [26.8897]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1025113 | DyInPt4 | data_[Dy4In4Pt16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6468]
_cell_length_b [7.6468]
_cell_length_c [7.6468]
_... |
mp-31433 | LuNiSn4 | data_[Lu4Ni4Sn16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.4367]
_cell_length_b [28.2038]
_cell_length_c [4.4506]
_... |
mp-2283 | ZrCo | data_[Zr1Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.1944]
_cell_length_b [3.1944]
_cell_length_c [3.1944]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1209950 | NaYb(Pd3O4)2 | data_[Na1Yb1Pd6O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Yb 1.1000 1.7500 1.0840
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3]
_cell_length_a [5.7840]
_cell_length_b [5.784... |
mp-28567 | LiBiF4 | data_[Li4Bi4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Bi 2.0200 1.6000 1.0350
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [5.3656]
_cell_length_b [5.3656]
_cell_length_c [11.2938]
_... |
mp-28638 | Gd2CCl | data_[Gd6C3Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
C 2.5500 0.7000 0.3000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6991]
_cell_length_b [3.6991]
_cell_length_c [20.6469]
_cel... |
mp-1218915 | SnTe2Pb | data_[Sn1Te2Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5847]
_cell_length_b [4.5847]
_cell_length_c [6.5060]
_... |
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