Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-865381 | Tm2IrRu | data_[Tm8Ir4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ir 2.2000 1.3500 0.7650
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7407]
_cell_length_b [6.7407]
_cell_length_c [6.7407]
_c... |
mp-614603 | CsI | data_[Cs4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8592]
_cell_length_b [7.8592]
_cell_length_c [7.8592]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1217609 | TbAlFe | data_[Tb8Al8Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.7561]
_cell_length_b [5.4199]
_cell_length_c [9.2011]
_ce... |
mp-1188372 | UVSe3 | data_[U4V4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
V 1.6300 1.3500 0.7775
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3473]
_cell_length_b [9.4826]
_cell_length_c [6.3723]
_cell_... |
mp-861931 | LiPt3 | data_[Li1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8910]
_cell_length_b [3.8910]
_cell_length_c [3.8910]
_cell_angle_alpha [90.0000]
_cell_... |
mp-754084 | Cu2OF2 | data_[Cu16O8F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.7280]
_cell_length_b [9.2588]
_cell_length_c [10.1569]
_cel... |
mp-1080749 | CsFeO2 | data_[Cs8Fe8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.6583]
_cell_length_b [8.6583]
_cell_length_c [8.6583]
_ce... |
mp-1114156 | K3RhF6 | data_[K12Rh4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rh 2.2800 1.3500 0.7450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.0043]
_cell_length_b [9.0043]
_cell_length_c [9.0043]
_cel... |
mp-568920 | CaAu5 | data_[Ca4Au20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8910]
_cell_length_b [7.8910]
_cell_length_c [7.8910]
_cell_angle_alpha [90.0000]
_cell... |
mp-1077453 | HfCuGe | data_[Hf4Cu4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7853]
_cell_length_b [3.7853]
_cell_length_c [13.5617]
... |
mp-1219871 | PdSeS | data_[Pd4Se4S4]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.6524]
_cell_length_b [5.7695]
_cell_length_c [8.3108]... |
mp-569055 | CsLi2I3 | data_[Cs1Li2I3]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6559]
_cell_length_b [4.6559]
_cell_length_c [10.8531]
_ce... |
mp-556754 | Ti3O5 | data_[Ti12O20]
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 [C2/c]
_cell_length_a [10.1993]
_cell_length_b [5.0669]
_cell_length_c [7.2538]
_cell_angle_alpha [90.0000]
_cell_... |
mp-328 | Zr2Ni | data_[Zr8Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.5065]
_cell_length_b [6.5065]
_cell_length_c [5.2626]
_cell_angle_alpha [90.0000]
_cell... |
mp-1063314 | Ca2Rh | data_[Ca8Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9621]
_cell_length_b [6.9621]
_cell_length_c [6.9621]
_cell_angle_alpha [90.0000]
_cell_... |
mp-775127 | Li4Fe3O8 | data_[Li12Fe9O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8286]
_cell_length_b [5.8286]
_cell_length_c [15.4139]
_c... |
mp-1069041 | NdSi3Ru | data_[Nd2Si6Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Si 1.9000 1.1000 0.5400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.2365]
_cell_length_b [4.2365]
_cell_length_c [9.9457]
_ce... |
mp-1221661 | MnCoB | data_[Mn8Co8B8]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [4.1863]
_cell_length_b [7.0524]
_cell_length_c [7.2145]
_cell... |
mp-982070 | VIr | data_[V8Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.0413]
_cell_length_b [7.8045]
_cell_length_c [4.0633]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-30393 | LuInAu2 | data_[Lu4In4Au8]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9326]
_cell_length_b [6.9326]
_cell_length_c [6.9326]
_c... |
mp-7888 | Sr2HoReO6 | data_[Sr8Ho4Re4O24]
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
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3293]
_cell_length_b [8.3... |
mp-8177 | HgF2 | data_[Hg4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6528]
_cell_length_b [5.6528]
_cell_length_c [5.6528]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1227333 | BaSrPd(OF)2 | data_[Ba2Sr2Pd2O4F4]
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
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a ... |
mp-758667 | LiNi6O6F | data_[Li2Ni12O12F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
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 [I4/mmm]
_cell_length_a [2.9736]
_cell_length_b [2.9... |
mp-977110 | NaSnPd2 | data_[Na4Sn4Pd8]
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 [Fm-3m]
_cell_length_a [6.5761]
_cell_length_b [6.5761]
_cell_length_c [6.5761]
_c... |
mp-28967 | Ba(PdS2)2 | data_[Ba2Pd4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pd 2.2000 1.4000 0.8462
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7960]
_cell_length_b [6.8994]
_cell_length_c [7.3333]
_ce... |
mp-1228562 | Al3GeW2 | data_[Al9Ge3W6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8581]
_cell_length_b [4.8654]
_cell_length_c [13.4600]
_cell_... |
mp-1226801 | Ce2Si3 | data_[Ce4Si6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8978]
_cell_length_b [4.1611]
_cell_length_c [13.9494]
_cell_angle_alpha [90.0000]
_cell_... |
mp-22709 | TaNiB2 | data_[Ta4Ni4B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0373]
_cell_length_b [3.1137]
_cell_length_c [8.1847]
_cell... |
mp-1216875 | Tm(CuTe)3 | data_[Tm6Cu18Te18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.4401]
_cell_length_b [7.4401]
_cell_length_c [20.9519]
_... |
mp-12974 | Pr2CdPd2 | data_[Pr4Cd2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8739]
_cell_length_b [7.8739]
_cell_length_c [3.9715]
_... |
mp-1219918 | PmPaO4 | data_[Pm1Pa1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pa 1.5000 1.8000 1.0400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8495]
_cell_length_b [3.8495]
_cell_length_c [5.5236]
_ce... |
mp-1102129 | Na2YbCdSb2 | data_[Na4Yb2Cd2Sb4]
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
Cd 1.6900 1.5500 1.0900
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.7142]
_cell_length_b [9... |
mp-1184843 | HoPaTc2 | data_[Ho4Pa4Tc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Pa 1.5000 1.8000 1.0400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8428]
_cell_length_b [6.8428]
_cell_length_c [6.8428]
_c... |
mp-1219380 | Sc4Co3Sb4 | data_[Sc4Co3Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Co 1.8800 1.3500 0.7683
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.8738]
_cell_length_b [4.2940]
_cell_length_c [7.3217]
_cell... |
mp-1221429 | MoPd3 | data_[Mo3Pd9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.7951]
_cell_length_b [2.7951]
_cell_length_c [27.3941]
_cell_angle_alpha [90.0000]
_cell_... |
mp-866184 | Ti3Pb | data_[Ti6Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.9919]
_cell_length_b [5.9919]
_cell_length_c [4.8054]
_cell_angle_alpha [90.0000]
_ce... |
mp-1086656 | Tb(NiSb)2 | data_[Tb2Ni4Sb4]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4386]
_cell_length_b [4.4386]
_cell_length_c [9.9436]
_... |
mp-1006324 | Ce(YS2)3 | data_[Ce2Y6S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Y 1.2200 1.8000 1.0400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.0862]
_cell_length_b [3.9832]
_cell_length_c [11.3727]
_c... |
mp-864917 | Dy2NiRu | data_[Dy8Ni4Ru4]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7886]
_cell_length_b [6.7886]
_cell_length_c [6.7886]
_c... |
mp-1080232 | CsSrI3 | data_[Cs4Sr4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sr 0.9500 2.0000 1.3200
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.9008]
_cell_length_b [16.4527]
_cell_length_c [12.3938]
_c... |
mp-1078401 | LaBi2Au | data_[La2Bi4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Bi 2.0200 1.6000 1.0350
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.7368]
_cell_length_b [4.7368]
_cell_length_c [10.1501]
... |
mp-1246915 | NbCr3(AgS4)2 | data_[Nb1Cr3Ag2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
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 [Pm]
_cell_length_a [5.8311]
_cell_length_b [3.4016]... |
mp-4697 | Zn(CrSe2)2 | data_[Zn8Cr16Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cr 1.6600 1.4000 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.6045]
_cell_length_b [10.6045]
_cell_length_c [10.604... |
mp-1023935 | Te2Mo | data_[Te2Mo1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.5587]
_cell_length_b [3.5587]
_cell_length_c [17.6733]
_cell_angle_alpha [90.0000]
_cell... |
mp-1825 | Cu2Sb | data_[Cu4Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0089]
_cell_length_b [4.0089]
_cell_length_c [6.1486]
_cell_angle_alpha [90.0000]
_cell... |
mp-1205761 | K2PdBr6 | data_[K8Pd4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pd 2.2000 1.4000 0.8462
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.5845]
_cell_length_b [10.5845]
_cell_length_c [10.5845]
... |
mp-1183604 | CaEu3 | data_[Ca2Eu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Eu 1.2000 1.8500 1.1985
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.9802]
_cell_length_b [7.9802]
_cell_length_c [6.4923]
_cell_angle_alpha [90.0000]
_ce... |
mp-866217 | Gd2ZnRu | data_[Gd8Zn4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Zn 1.6500 1.3500 0.8800
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0200]
_cell_length_b [7.0200]
_cell_length_c [7.0200]
_c... |
mp-4913 | LiGa2Rh | data_[Li4Ga8Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0889]
_cell_length_b [6.0889]
_cell_length_c [6.0889]
_c... |
mp-1025208 | Cs2PuO4 | data_[Cs4Pu2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
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 [4.3968]
_cell_length_b [4.3968]
_cell_length_c [15.1885]
_c... |
mp-1147658 | Cu6SnO8 | data_[Cu24Sn4O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.2471]
_cell_length_b [9.2471]
_cell_length_c [9.2471]
_c... |
mp-1520495 | NaSrInWO6 | data_[Na4Sr4In4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
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-1178563 | AgAsO3 | data_[Ag6As6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.0047]
_cell_length_b [5.0047]
_cell_length_c [17.3010]
_cel... |
mp-21069 | YSiRu | data_[Y4Si4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Si 1.9000 1.1000 0.5400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0103]
_cell_length_b [4.3150]
_cell_length_c [7.1888]
_cell... |
mp-1523366 | Ba2PrBiO6 | data_[Ba8Pr4Bi4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pr 1.1300 1.8500 1.0600
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.9023]
_cell_length_b [8.9... |
mvc-8472 | Sb2O5 | data_[Sb8O20]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9998]
_cell_length_b [10.2455]
_cell_length_c [9.7901]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-7998 | Li2Ge2O5 | data_[Li8Ge8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ccc2]
_cell_length_a [6.0474]
_cell_length_b [15.4763]
_cell_length_c [5.0436]
_ce... |
mp-1180897 | K2PdN2(ClO2)2 | data_[K2Pd1N2Cl2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pd 2.2000 1.4000 0.8462
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.... |
mp-30892 | Ba4Bi3 | data_[Ba16Bi12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [10.7451]
_cell_length_b [10.7451]
_cell_length_c [10.7451]
_cell_angle_alpha [90.0000]
_... |
mp-981365 | V2ReRu | data_[V8Re4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Re 1.9000 1.3500 0.7125
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0523]
_cell_length_b [6.0523]
_cell_length_c [6.0523]
_cel... |
mp-1102006 | Zr4CoP | data_[Zr8Co2P2]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mcc]
_cell_length_a [6.4181]
_cell_length_b [6.4181]
_cell_length_c [5.4629]
_ce... |
mp-1104974 | Cr5InSe8 | data_[Cr10In2Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
In 1.7800 1.5500 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8882]
_cell_length_b [3.6778]
_cell_length_c [9.0456]
... |
mp-1018893 | PrCuSn | data_[Pr2Cu2Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5877]
_cell_length_b [4.5877]
_cell_length_c [7.9817]... |
mp-1186691 | Pr2Mg | data_[Pr4Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8983]
_cell_length_b [3.8983]
_cell_length_c [12.8067]
_cell_angle_alpha [90.0000]
_cel... |
mp-11846 | Pr(AlZn)2 | data_[Pr2Al4Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2155]
_cell_length_b [4.2155]
_cell_length_c [11.0325]
... |
mp-866168 | TiInPd2 | data_[Ti4In4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4659]
_cell_length_b [6.4659]
_cell_length_c [6.4659]
_c... |
mp-19721 | GdNbO4 | data_[Gd4Nb4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.2002]
_cell_length_b [11.2553]
_cell_length_c [5.1711]
_ce... |
mp-1094650 | MgGa | data_[Mg6Ga6]
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 [Cm]
_cell_length_a [10.6257]
_cell_length_b [3.2058]
_cell_length_c [7.4070]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-760462 | Li5Ti(SiO4)2 | data_[Li10Ti2Si4O16]
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
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.4360]
_cell_length_b [7.645... |
mp-353 | Ag2O | data_[Ag4O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pn-3m]
_cell_length_a [4.8408]
_cell_length_b [4.8408]
_cell_length_c [4.8408]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1027671 | MoW(SeS)2 | data_[Mo2W2Se4S4]
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 [3.2514]
_cell_length_b [3.2514]... |
mp-590 | NiAs | data_[Ni2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.6458]
_cell_length_b [3.6458]
_cell_length_c [5.0451]
_cell_angle_alpha [90.0000]
_ce... |
mp-972328 | Ti2IrRh | data_[Ti8Ir4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2355]
_cell_length_b [6.2355]
_cell_length_c [6.2355]
_c... |
mp-1187370 | TbPmIr2 | data_[Tb4Pm4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pm 1.1300 1.8500 1.1100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9749]
_cell_length_b [6.9749]
_cell_length_c [6.9749]
_c... |
mp-1224375 | Ge2Sb2Te5 | data_[Ge2Sb2Te5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2941]
_cell_length_b [4.2941]
_cell_length_c [17.1013]
_... |
mp-1226589 | CeNdAl2O6 | data_[Ce2Nd2Al4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.5715]
_cell_length_b [7.5723... |
mp-7281 | Dy3Ni2 | data_[Dy12Ni8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2858]
_cell_length_b [3.6598]
_cell_length_c [9.5161]
_cell_angle_alpha [90.0000]
_cell... |
mp-755016 | V3(O2F)2 | data_[V6O8F4]
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 [P-1]
_cell_length_a [5.6179]
_cell_length_b [5.6175]
_cell_length_c [7.1107]
_cell_angl... |
mp-557397 | K2MnF6 | data_[K8Mn4F24]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3665]
_cell_length_b [8.3665]
_cell_length_c [8.3665]
_cell... |
mp-9596 | La(BIr)4 | data_[La2B8Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [7.7471]
_cell_length_b [7.7471]
_cell_length_c [3.9908]
_ce... |
mp-1217045 | U(SiNi5)2 | data_[U2Si4Ni20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7961]
_cell_length_b [7.8572]
_cell_length_c [8.2279]
_cel... |
mp-611836 | O2 | data_[O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5957]
_cell_length_b [3.5335]
_cell_length_c [4.2738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0686]
_cell_angle_g... |
mp-865325 | Lu2CoRu | data_[Lu8Co4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Co 1.8800 1.3500 0.7683
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6082]
_cell_length_b [6.6082]
_cell_length_c [6.6082]
_c... |
mp-1219310 | ScGaNi | data_[Sc4Ga4Ni4]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3461]
_cell_length_b [4.1284]
_cell_length_c [6.3220]
_ce... |
mp-655461 | SrIn | data_[Sr32In32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [10.2816]
_cell_length_b [26.3760]
_cell_length_c [8.5086]
_cell_angle_alpha [90.0000]
_ce... |
mp-1218454 | SrCa3Hf4O12 | data_[Sr1Ca3Hf4O12]
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
Hf 1.3000 1.5500 0.8500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.6468]
_cell_length_b [8.0852... |
mp-760161 | Na2(NiO2)5 | data_[Na2Ni5O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9013]
_cell_length_b [6.5285]
_cell_length_c [7.0968]
_cell... |
mp-777779 | Li4Mn(TeO4)3 | data_[Li4Mn1Te3O12]
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
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [5.0263]
_cell_length_b [8.8174... |
mp-1186040 | Na | data_[Na8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [6.7420]
_cell_length_b [6.7420]
_cell_length_c [6.7420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-1208627 | SrHo2Al2O7 | data_[Sr2Ho4Al4O14]
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
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7233]
_cell_length_b [3.... |
mp-1189023 | Cr2Se3 | data_[Cr8Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [6.3511]
_cell_length_b [6.3511]
_cell_length_c [11.7529]
_cell_angle_alpha [90.0000]
_cel... |
mp-975896 | PrNdTl2 | data_[Pr4Nd4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8566]
_cell_length_b [7.8566]
_cell_length_c [7.8566]
_c... |
mp-1184847 | HoLuIr2 | data_[Ho4Lu4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Lu 1.2700 1.7500 1.0010
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7712]
_cell_length_b [6.7712]
_cell_length_c [6.7712]
_c... |
mp-1179149 | SrMoO4 | data_[Sr4Mo4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [5.4715]
_cell_length_b [5.4715]
_cell_length_c [12.2485]
_... |
mp-1221667 | MnCd3Te4 | data_[Mn1Cd3Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.6434]
_cell_length_b [9.2921]
_cell_length_c [6.5004]
_ce... |
mp-1102458 | YGaRh | data_[Y4Ga4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8118]
_cell_length_b [4.3644]
_cell_length_c [7.7534]
_cell... |
mp-1225307 | DyCu5 | data_[Dy1Cu5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9966]
_cell_length_b [4.9966]
_cell_length_c [4.1312]
_cell_angle_alpha [90.0000]
_cell... |
mp-1217279 | Th2Si3Ir | data_[Th4Si6Ir2]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.1017]
_cell_length_b [4.2376]
_cell_length_c [14.2729]
_c... |
mp-1091413 | CdCu2SnTe4 | data_[Cd2Cu4Sn2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.2866]
_cell_length_b [6.... |
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