Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1186766 | Ta2MoIr | data_[Ta8Mo4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Mo 2.1600 1.4500 0.7750
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4232]
_cell_length_b [6.4232]
_cell_length_c [6.4232]
_c... |
mp-1186263 | Nd3Cd | data_[Nd6Cd2]
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 [I4/mmm]
_cell_length_a [4.9541]
_cell_length_b [4.9541]
_cell_length_c [10.1620]
_cell_angle_alpha [90.0000]
_cel... |
mp-753731 | Ba2CaI6 | data_[Ba4Ca2I12]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.8983]
_cell_length_b [7.8983]
_cell_length_c [15.3277]... |
mp-974782 | NdTlAg2 | data_[Nd4Tl4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2142]
_cell_length_b [7.2142]
_cell_length_c [7.2142]
_c... |
mp-1226803 | CeTiFe11 | data_[Ce2Ti2Fe22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.6732]
_cell_length_b [8.6387]
_cell_length_c [8.5244]
_c... |
mp-34492 | Na2TbO3 | data_[Na8Tb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tb 1.1000 1.7500 0.9815
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.0339]
_cell_length_b [10.1549]
_cell_length_c [5.9168]
_ce... |
mp-754349 | GdOF | data_[Gd2O2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9256]
_cell_length_b [3.9256]
_cell_length_c [5.6007]
_cell... |
mp-3210 | Ca(CoP)2 | data_[Ca2Co4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8503]
_cell_length_b [3.8503]
_cell_length_c [9.5894]
_ce... |
mp-1639759 | CaLaVFeO6 | data_[Ca2La2V2Fe2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
La 1.1000 1.9500 1.1720
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [... |
mp-1206169 | SrCuSi | data_[Sr2Cu2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0942]
_cell_length_b [4.0942]
_cell_length_c [9.3491]... |
mp-1188102 | V5Si3 | data_[V20Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.1866]
_cell_length_b [6.1866]
_cell_length_c [11.0455]
_cell_angle_alpha [90.0000]
_cel... |
mp-865977 | LuCdAg2 | data_[Lu4Cd4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9247]
_cell_length_b [6.9247]
_cell_length_c [6.9247]
_c... |
mp-1211088 | LiCaP | data_[Li4Ca4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0708]
_cell_length_b [4.1698]
_cell_length_c [7.8754]
_cell... |
mp-1220166 | NdAlGa | data_[Nd1Al1Ga1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.3579]
_cell_length_b [4.3579]
_cell_length_c [4.2271]
_c... |
mp-1309481 | Na2CoO3 | data_[Na8Co4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.7910]
_cell_length_b [6.3140]
_cell_length_c [5.1879]
_... |
mp-752654 | Li3(FeO3)2 | data_[Li6Fe4O12]
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 [C2/m]
_cell_length_a [5.0834]
_cell_length_b [8.7601]
_cell_length_c [5.0820]
_cel... |
mp-1077201 | UAsP | data_[U2As2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8555]
_cell_length_b [3.8555]
_cell_length_c [7.9494]
_cell... |
mp-1219772 | PrYCo4 | data_[Pr4Y4Co16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2709]
_cell_length_b [7.2709]
_cell_length_c [7.2709]
_ce... |
mp-676780 | LiMn9Se10 | data_[Li1Mn9Se10]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5975]
_cell_length_b [7.6290]
_cell_length_c [8.5084]
_ce... |
mp-3088 | LaBRh3 | data_[La1B1Rh3]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2903]
_cell_length_b [4.2903]
_cell_length_c [4.2903]
_cel... |
mp-1025253 | Tb(TiGa2)2 | data_[Tb2Ti4Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ti 1.5400 1.4000 0.8517
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.7851]
_cell_length_b [6.7851]
_cell_length_c [5.4473]
_... |
mp-1095321 | WBr5 | data_[W2Br10]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8941]
_cell_length_b [7.4397]
_cell_length_c [9.9843]
_cell_angle_alpha [109.8223]
_cell_an... |
mp-1227972 | Ce4Cu5Sb8 | data_[Ce4Cu5Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.5286]
_cell_length_b [4.5286]
_cell_length_c [19.9031]
_c... |
mp-8842 | CaSiPd | data_[Ca4Si4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9128]
_cell_length_b [5.7687]
_cell_length_c [7.8039]
_... |
mp-10047 | Ca5As3 | data_[Ca10As6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.5290]
_cell_length_b [8.5290]
_cell_length_c [6.8042]
_cell_angle_alpha [90.0000]
_c... |
mp-11305 | Li2CdPb | data_[Li8Cd4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cd 1.6900 1.5500 1.0900
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8731]
_cell_length_b [6.8731]
_cell_length_c [6.8731]
_c... |
mp-16315 | GePt3 | data_[Ge4Pt12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.5976]
_cell_length_b [5.5976]
_cell_length_c [8.0371]
_cell_angle_alpha [90.0000]
_cel... |
mp-973748 | LiIn3 | data_[Li2In6]
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 [I4/mmm]
_cell_length_a [4.4861]
_cell_length_b [4.4861]
_cell_length_c [9.4494]
_cell_angle_alpha [90.0000]
_cell... |
mp-775190 | Li2V3CuO8 | data_[Li6V9Cu3O24]
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
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.8854]
_cell_length_b [5.8854]... |
mp-862336 | Sc2IrPd | data_[Sc8Ir4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ir 2.2000 1.3500 0.7650
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5458]
_cell_length_b [6.5458]
_cell_length_c [6.5458]
_c... |
mp-31169 | ScAlAg2 | data_[Sc4Al4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6170]
_cell_length_b [6.6170]
_cell_length_c [6.6170]
_c... |
mp-1099259 | LiMg3O4 | data_[Li1Mg3O4]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2294]
_cell_length_b [4.2294]
_cell_length_c [4.2294]
_cel... |
mp-1216846 | U2FeSi3 | data_[U2Fe1Si3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6914]
_cell_length_b [4.0675]
_cell_length_c [6.9380]
_cell... |
mp-1206397 | CrCoAs | data_[Cr3Co3As3]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.0758]
_cell_length_b [6.0758]
_cell_length_c [3.6466]
_c... |
mp-865127 | NaTl2Cd | data_[Na4Tl8Cd4]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6107]
_cell_length_b [7.6107]
_cell_length_c [7.6107]
_c... |
mp-10848 | AsPdS | data_[As4Pd4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.0335]
_cell_length_b [6.0335]
_cell_length_c [6.0335]
_cel... |
mp-861985 | Er2IrRh | data_[Er8Ir4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
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 [6.7990]
_cell_length_b [6.7990]
_cell_length_c [6.7990]
_c... |
mp-1006057 | LaPrIn2 | data_[La4Pr4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8721]
_cell_length_b [7.8721]
_cell_length_c [7.8721]
_c... |
mp-867340 | K2BaCdSb2 | data_[K4Ba2Cd2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ba 0.8900 2.1500 1.4900
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 [5.1050]
_cell_length_b [10.... |
mp-570988 | La2PBr2 | data_[La2P1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
P 2.1900 1.0000 0.5500
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2665]
_cell_length_b [4.2665]
_cell_length_c [10.2174]
_ce... |
mp-861588 | Pr2CuRu | data_[Pr8Cu4Ru4]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1658]
_cell_length_b [7.1658]
_cell_length_c [7.1658]
_c... |
mp-12675 | MnAu | data_[Mn1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1887]
_cell_length_b [3.1887]
_cell_length_c [3.3099]
_cell_angle_alpha [90.0000]
_cell... |
mp-676049 | KBF4 | data_[K1B1F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
B 2.0400 0.8500 0.4100
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0919]
_cell_length_b [5.1347]
_cell_length_c [5.2981]
_cell_angle... |
mp-1219271 | Sm2Fe15Co2 | data_[Sm4Fe30Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6756]
_cell_length_b [8.5087]
_cell_length_c [6.4245]
_cel... |
mp-10058 | YbCo3B2 | data_[Yb1Co3B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.1656]
_cell_length_b [5.1656]
_cell_length_c [2.7567]
_ce... |
mp-1206826 | La4SiI5 | data_[La8Si2I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0280]
_cell_length_b [4.4402]
_cell_length_c [9.2398]
_ce... |
mp-864637 | NdAl | data_[Nd8Al8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [5.9889]
_cell_length_b [11.8285]
_cell_length_c [5.7636]
_cell_angle_alpha [90.0000]
_cell_... |
mp-22602 | CaIn2Au | data_[Ca4In8Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6155]
_cell_length_b [10.9579]
_cell_length_c [7.7382]
_c... |
mp-977436 | ZrAlRu2 | data_[Zr4Al4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Al 1.6100 1.2500 0.6750
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3104]
_cell_length_b [6.3104]
_cell_length_c [6.3104]
_c... |
mp-861733 | LiTePd2 | data_[Li4Te4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Te 2.1000 1.4000 1.2933
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4560]
_cell_length_b [6.4560]
_cell_length_c [6.4560]
_c... |
mp-1189555 | Ce5CuBi3 | data_[Ce10Cu2Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cu 1.9000 1.3500 0.8200
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.6160]
_cell_length_b [9.6160]
_cell_length_c [6.4948... |
mp-541129 | NdVO3 | data_[Nd4V4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7456]
_cell_length_b [7.8438]
_cell_length_c [5.4916]
_cell_... |
mp-998603 | RbPbBr3 | data_[Rb4Pb4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5160]
_cell_length_b [15.0682]
_cell_length_c [11.3429]
... |
mp-1186634 | PmSm | data_[Pm1Sm1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.6549]
_cell_length_b [3.6549]
_cell_length_c [5.9814]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1079214 | GdSnPt2 | data_[Gd2Sn2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5774]
_cell_length_b [4.5774]
_cell_length_c [9.2326]... |
mp-755902 | Lu(HO)3 | data_[Lu2H6O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [6.2256]
_cell_length_b [6.2256]
_cell_length_c [3.4634]
_cell... |
mp-973890 | HoHfRu2 | data_[Ho4Hf4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Hf 1.3000 1.5500 0.8500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6220]
_cell_length_b [6.6220]
_cell_length_c [6.6220]
_c... |
mp-690 | P4S5 | data_[P8S10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.9205]
_cell_length_b [11.5621]
_cell_length_c [7.5148]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1217633 | Tb3HoCo8 | data_[Tb9Ho3Co24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0475]
_cell_length_b [5.0475]
_cell_length_c [24.8721]
_c... |
mp-1079690 | GdSiAg | data_[Gd3Si3Ag3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.1463]
_cell_length_b [7.1463]
_cell_length_c [4.2415]
_c... |
mp-13313 | ScTlSe2 | data_[Sc3Tl3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9832]
_cell_length_b [3.9832]
_cell_length_c [23.2356]
_c... |
mp-1226074 | CoNi(SbS)2 | data_[Co2Ni2Sb4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.8759]
_cell_length_b [5.884... |
mp-690516 | Sr2Co2O5 | data_[Sr2Co2O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6161]
_cell_length_b [5.6450]
_cell_length_c [5.6649]
_cell_a... |
mp-1226783 | Cd4Te3Se | data_[Cd4Te3Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.6152]
_cell_length_b [9.2634]
_cell_length_c [6.4812]
_ce... |
mp-569440 | TmInAg2 | data_[Tm4In4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9717]
_cell_length_b [6.9717]
_cell_length_c [6.9717]
_c... |
mp-610706 | Cs2CoF6 | data_[Cs8Co4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Co 1.8800 1.3500 0.7683
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.0508]
_cell_length_b [9.0508]
_cell_length_c [9.0508]
_ce... |
mp-22735 | Ca2Sn | data_[Ca8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.9164]
_cell_length_b [5.0844]
_cell_length_c [9.6167]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1104580 | Y4(FeB2)3 | data_[Y12Fe9B18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3454]
_cell_length_b [5.3454]
_cell_length_c [21.9790]
_cel... |
mp-8809 | BaLa2PtO5 | data_[Ba2La4Pt2O10]
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
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.9467]
_cell_length_b [6.... |
mp-19794 | EuSnP | data_[Eu2Sn2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Sn 1.9600 1.4500 0.8300
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2699]
_cell_length_b [4.2699]
_cell_length_c [8.7349]
_ce... |
mp-1232294 | Pm2MgS4 | data_[Pm16Mg8S32]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.4373]
_cell_length_b [11.4373]
_cell_length_c [11.4373]... |
mp-1101993 | Pr2P2AuO | data_[Pr8P8Au4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
P 2.1900 1.0000 0.5500
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3439]
_cell_length_b [4.2719... |
mp-9220 | SmNi2B2C | data_[Sm2Ni4B4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6331]
_cell_length_b [3.633... |
mp-12414 | K(USe3)2 | data_[K2U4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
U 1.3800 1.7500 0.9913
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0530]
_cell_length_b [5.5358]
_cell_length_c [22.1040]
_cell... |
mp-1105741 | Pr3Ru | data_[Pr12Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4720]
_cell_length_b [9.8398]
_cell_length_c [6.5526]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1186628 | PmPrIr2 | data_[Pm4Pr4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pr 1.1300 1.8500 1.0600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1044]
_cell_length_b [7.1044]
_cell_length_c [7.1044]
_c... |
mp-1786 | Ti3Au | data_[Ti6Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [5.1133]
_cell_length_b [5.1133]
_cell_length_c [5.1133]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1228848 | CsBS2 | data_[Cs4B4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
B 2.0400 0.8500 0.4100
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7841]
_cell_length_b [6.2746]
_cell_length_c [17.9919]
_cell_... |
mp-1079863 | TiCo3 | data_[Ti2Co6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.1309]
_cell_length_b [5.1309]
_cell_length_c [4.1350]
_cell_angle_alpha [90.0000]
_ce... |
mp-1188862 | La(HoS2)3 | data_[La2Ho6S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ho 1.2300 1.7500 1.0410
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.1396]
_cell_length_b [4.0135]
_cell_length_c [11.3505]
... |
mp-753616 | Li4VCr3O8 | data_[Li4V1Cr3O8]
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
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1172]
_cell_length_b [5.1814]
... |
mp-1228066 | AlTl2Cu3Se4 | data_[Al1Tl2Cu3Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.9856]
_cell_length_b [3.... |
mp-19795 | InS | data_[In4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [4.7537]
_cell_length_b [10.7253]
_cell_length_c [4.0104]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1641442 | Li2TiFe2O5 | data_[Li8Ti4Fe8O20]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.1390]
_cell_length_b [15.113... |
mp-1186623 | PmGdHg2 | data_[Pm4Gd4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Gd 1.2000 1.8000 1.0750
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5870]
_cell_length_b [7.5870]
_cell_length_c [7.5870]
_c... |
mp-579536 | CsCu2ICl2 | data_[Cs2Cu4I2Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cu 1.9000 1.3500 0.8200
I 2.6600 1.4000 1.2733
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7623]
_cell_length_b [5.5... |
mp-1189377 | Pr3Tl5 | data_[Pr12Tl20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.6003]
_cell_length_b [8.4639]
_cell_length_c [10.6335]
_cell_angle_alpha [90.0000]
_ce... |
mp-865759 | YbHfRh2 | data_[Yb4Hf4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Hf 1.3000 1.5500 0.8500
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5758]
_cell_length_b [6.5758]
_cell_length_c [6.5758]
_c... |
mp-754185 | Y2MgNi2 | data_[Y4Mg2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.3662]
_cell_length_b [7.3662]
_cell_length_c [3.7388]
_ce... |
mp-704634 | Ba2Nd2Fe4O11 | data_[Ba4Nd4Fe8O22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nd 1.1400 1.8500 1.2765
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.0861]
_cell_length_b [15.8... |
mp-756173 | Li5FeS4 | data_[Li10Fe2S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.8306]
_cell_length_b [7.9425]
_cell_length_c [5.8710]
_cel... |
mp-755998 | Zr3N2O3 | data_[Zr12N8O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0870]
_cell_length_b [10.7421]
_cell_length_c [10.7812]
_ce... |
mp-1070917 | Nd2Co2SiC | data_[Nd4Co4Si2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9200]
_cell_length_b [6.024... |
mp-1184705 | HgAu3 | data_[Hg2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.0281]
_cell_length_b [6.0281]
_cell_length_c [4.8637]
_cell_angle_alpha [90.0000]
_ce... |
mp-14824 | Sr2HoCu3(PbO4)2 | data_[Sr2Ho1Cu3Pb2O8]
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
Cu 1.9000 1.3500 0.8200
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_lengt... |
mp-1080689 | LuTe3 | data_[Lu4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3145]
_cell_length_b [25.6381]
_cell_length_c [4.3230]
_cell_angle_alpha [90.0000]
_cell... |
mp-1216742 | U3P2Se | data_[U6P4Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
P 2.1900 1.0000 0.5500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9660]
_cell_length_b [5.6157]
_cell_length_c [11.9292]
_cell_... |
mp-22656 | GdInPt2 | data_[Gd2In2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.6139]
_cell_length_b [4.6139]
_cell_length_c [9.1086]... |
mp-1104121 | Li2La2Si3 | data_[Li8La8Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5080]
_cell_length_b [18.8015]
_cell_length_c [6.9132]
_... |
mp-985569 | Sr2YCu3O7 | data_[Sr2Y1Cu3O7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.7309]
_cell_length_b [3.8969]... |
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