Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1216789 | V2Fe(CuO2)3 | data_[V4Fe2Cu6O12]
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
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6492]
_cell_length_b [3.010... |
mp-1214019 | Ca3Ge4Au7 | data_[Ca6Ge8Au14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.5244]
_cell_length_b [13.3433]
_cell_length_c [9.7229]
_... |
mp-2499 | BaSi | data_[Ba4Si4]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.0611]
_cell_length_b [12.1208]
_cell_length_c [4.1576]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1214332 | BaSrBi3 | data_[Ba4Sr4Bi12]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Pnna]
_cell_length_a [15.5038]
_cell_length_b [7.1097]
_cell_length_c [6.9215]
_... |
mp-22125 | Np(CoGe)2 | data_[Np2Co4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0158]
_cell_length_b [4.0158]
_cell_length_c [9.7046]
_... |
mp-989577 | LiTl2GaF6 | data_[Li4Tl8Ga4F24]
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
Ga 1.8100 1.3000 0.7600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3705]
_cell_length_b [8.3... |
mp-5874 | TlAgTe | data_[Tl4Ag4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.7660]
_cell_length_b [4.9399]
_cell_length_c [8.0762]
_ce... |
mp-1104657 | Eu(InSe2)2 | data_[Eu4In8Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [6.8810]
_cell_length_b [11.2018]
_cell_length_c [11.2653]
... |
mp-1380 | Zn3Ru | data_[Zn12Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7941]
_cell_length_b [3.7941]
_cell_length_c [15.5936]
_cell_angle_alpha [90.0000]
_ce... |
mp-1205947 | Eu2TaAlO6 | data_[Eu8Ta4Al4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ta 1.5000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8433]
_cell_length_b [7.8... |
mp-11191 | CrSi2 | data_[Cr3Si6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_422]
_cell_length_a [4.4103]
_cell_length_b [4.4103]
_cell_length_c [6.3705]
_cell_angle_alpha [90.0000]
_cell... |
mp-555184 | SmTiClO3 | data_[Sm4Ti4Cl4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ti 1.5400 1.4000 0.8517
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8477]
_cell_length_b [3.97... |
mp-1218305 | SrEuC4 | data_[Sr2Eu2C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Eu 1.2000 1.8500 1.1985
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.7337]
_cell_length_b [6.6963]
_cell_length_c [5.7501]
_cell... |
mp-1018895 | PrFeSi | data_[Pr2Fe2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0701]
_cell_length_b [4.0701]
_cell_length_c [7.0825]
_... |
mp-1184322 | Eu2TlZn | data_[Eu8Tl4Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7692]
_cell_length_b [7.7692]
_cell_length_c [7.7692]
_c... |
mp-1214059 | CaCrO2 | data_[Ca8Cr8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [6.2145]
_cell_length_b [6.2145]
_cell_length_c [10.8687]... |
mp-1225141 | Fe2SiP | data_[Fe4Si2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [2.9542]
_cell_length_b [5.8983]
_cell_length_c [5.2594]
_ce... |
mp-1225928 | CsMgFeF6 | data_[Cs4Mg4Fe4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mg 1.3100 1.5000 0.8600
Fe 1.8300 1.4000 0.8525
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.3891]
_cell_length_b [7.48... |
mp-1217081 | Ti3Al5 | data_[Ti3Al5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9208]
_cell_length_b [3.9208]
_cell_length_c [8.3673]
_cell_angle_alpha [90.0000]
_cell... |
mp-556916 | GaAgS2 | data_[Ga4Ag4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.1684]
_cell_length_b [8.1766]
_cell_length_c [6.6328]
_cell_a... |
mp-20615 | EuGePd | data_[Eu4Ge4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1956]
_cell_length_b [6.0700]
_cell_length_c [8.0339]
_... |
mp-569961 | Sr8Mn2FeN8 | data_[Sr16Mn4Fe2N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8701]
_cell_length_b [5.... |
mp-1102477 | Eu2Si | data_[Eu8Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5769]
_cell_length_b [4.9386]
_cell_length_c [9.3790]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1220700 | Nb2Al3Ir | data_[Nb4Al6Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2179]
_cell_length_b [5.2179]
_cell_length_c [8.0102]... |
mp-1210166 | Nd6Co2Sn | data_[Nd24Co8Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.5567]
_cell_length_b [10.1500]
_cell_length_c [10.3850]
... |
mp-11392 | TmGa2Pd | data_[Tm4Ga8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3965]
_cell_length_b [10.0768]
_cell_length_c [6.6256]
_c... |
mp-13840 | Ho3ScO6 | data_[Ho18Sc6O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Sc 1.3600 1.6000 0.8850
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.4602]
_cell_length_b [9.4602]
_cell_length_c [10.9848]
_ce... |
mp-1586 | NdSb | data_[Nd4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4001]
_cell_length_b [6.4001]
_cell_length_c [6.4001]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1225224 | Fe3Si2Ni3 | data_[Fe3Si2Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.4612]
_cell_length_b [3.6246]
_cell_length_c [7.0498]
_ce... |
mp-1299167 | Ba2FeMoO6 | data_[Ba8Fe4Mo4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Fe 1.8300 1.4000 0.8525
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0538]
_cell_length_b [5.7... |
mp-1223213 | La3Cd(FeO3)4 | data_[La3Cd1Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cd 1.6900 1.5500 1.0900
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5558]
_cell_length_b [7.9170... |
mp-984784 | Ba2ZnCd | data_[Ba8Zn4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zn 1.6500 1.3500 0.8800
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4407]
_cell_length_b [8.4407]
_cell_length_c [8.4407]
_c... |
mp-676341 | Na2UF6 | data_[Na8U4F24]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.7267]
_cell_length_b [11.7811]
_cell_length_c [6.9506]
_cell... |
mp-12376 | KYbSiS4 | data_[K2Yb2Si2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Yb 1.1000 1.7500 1.0840
Si 1.9000 1.1000 0.5400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9072]
_cell_length_b [5.657... |
mp-27214 | CsSnBr3 | data_[Cs1Sn1Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sn 1.9600 1.4500 0.8300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.8860]
_cell_length_b [5.8860]
_cell_length_c [5.8860]
_c... |
mp-1206262 | ErInCu4 | data_[Er4In4Cu16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2110]
_cell_length_b [7.2110]
_cell_length_c [7.2110]
_... |
mp-2790 | Ni12P5 | data_[Ni24P10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [8.6287]
_cell_length_b [8.6287]
_cell_length_c [5.0365]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-4316 | Sr(NiAs)2 | data_[Sr2Ni4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1695]
_cell_length_b [4.1695]
_cell_length_c [10.3631]
... |
mp-696 | SiPt | data_[Si4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6513]
_cell_length_b [3.6393]
_cell_length_c [5.9782]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-9846 | RbCaSb | data_[Rb2Ca2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ca 1.0000 1.8000 1.1400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [5.4116]
_cell_length_b [5.4116]
_cell_length_c [8.5664]
_... |
mp-1185454 | LiScIn2 | data_[Li4Sc4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0025]
_cell_length_b [7.0025]
_cell_length_c [7.0025]
_c... |
mp-30494 | ScCd3 | data_[Sc2Cd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.3992]
_cell_length_b [6.3992]
_cell_length_c [4.9114]
_cell_angle_alpha [90.0000]
_ce... |
mp-582828 | La3Ge3Cl2 | data_[La12Ge12Cl8]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2034]
_cell_length_b [4.3311]
_cell_length_c [10.8586]... |
mp-769656 | Ba2Ce2O5 | data_[Ba4Ce4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ce 1.1200 1.8500 1.0800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.2434]
_cell_length_b [12.7500]
_cell_length_c [4.4766]
_ce... |
mp-1047 | Ca3N2 | data_[Ca18N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [6.1966]
_cell_length_b [6.1966]
_cell_length_c [16.6545]
_cell_angle_alpha [90.0000]
_cell_... |
mp-11605 | KTb2CuS4 | data_[K4Tb8Cu4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9722]
_cell_length_b [13.578... |
mp-1218957 | SmZnSi | data_[Sm1Zn1Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.1653]
_cell_length_b [4.1653]
_cell_length_c [4.1693]
_c... |
mp-2545 | YbHg | data_[Yb1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7545]
_cell_length_b [3.7545]
_cell_length_c [3.7545]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1095346 | EuCdPt | data_[Eu4Cd4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4690]
_cell_length_b [4.4096]
_cell_length_c [8.6956]
_ce... |
mp-18878 | LiFeAs2O7 | data_[Li2Fe2As4O14]
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
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.7858]
_cell_length_b [8.4157... |
mp-505090 | Na(CuO)2 | data_[Na4Cu8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.2000]
_cell_length_b [2.9811]
_cell_length_c [13.2962]
_cel... |
mp-819 | HfCr2 | data_[Hf8Cr16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.0947]
_cell_length_b [7.0947]
_cell_length_c [7.0947]
_cell_angle_alpha [90.0000]
_cell... |
mp-27315 | CaTiF6 | data_[Ca4Ti4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ti 1.5400 1.4000 0.8517
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3456]
_cell_length_b [8.3456]
_cell_length_c [8.3456]
_ce... |
mp-1271310 | Cr2NiO4 | data_[Cr8Ni4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [5.9452]
_cell_length_b [8.5520]
_cell_length_c [5.9873]
_cel... |
mp-1180312 | MgO | data_[Mg16O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.1989]
_cell_length_b [14.5496]
_cell_length_c [4.2162]
_cell_angle_alpha [90.0000]
_cell_... |
mp-680111 | CdI2 | data_[Cd4I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3515]
_cell_length_b [4.3515]
_cell_length_c [29.3058]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-20122 | DyGe | data_[Dy4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3060]
_cell_length_b [10.7537]
_cell_length_c [3.9640]
_cell_angle_alpha [90.0000]
_cell_... |
mp-755115 | CuReO4 | data_[Cu2Re2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7828]
_cell_length_b [4.9388]
_cell_length_c [5.8708]
_cell_... |
mp-27304 | K2MnCl6 | data_[K8Mn4Cl24]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.9046]
_cell_length_b [9.9046]
_cell_length_c [9.9046]
_ce... |
mp-1106152 | Nd5Pb3 | data_[Nd10Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.4252]
_cell_length_b [9.4252]
_cell_length_c [6.9132]
_cell_angle_alpha [90.0000]
_c... |
mp-1190023 | LiLa2ReO6 | data_[Li2La4Re2O12]
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
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5638]
_cell_length_b [5.... |
mp-1206129 | Rb(AsRu)2 | data_[Rb2As4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
As 2.1800 1.1500 0.6600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1539]
_cell_length_b [4.1539]
_cell_length_c [13.7712]
... |
mp-1215596 | YbYAl6 | data_[Yb2Y2Al12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.0810]
_cell_length_b [6.0810]
_cell_length_c [9.7480]
... |
mp-1220136 | NdV2(FeCo)5 | data_[Nd2V4Fe10Co10]
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
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.6750]
_cell_length_b [8.4... |
mp-12448 | LiSm2OsO6 | data_[Li2Sm4Os2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sm 1.1700 1.8500 1.2290
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4167]
_cell_length_b [5.... |
mp-761033 | Hf3N2O3 | data_[Hf12N8O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.5033]
_cell_length_b [4.0494]
_cell_length_c [10.5730]
_cell... |
mp-1187178 | SrI2 | data_[Sr2I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.7486]
_cell_length_b [7.7486]
_cell_length_c [5.0014]
_cell_angle_alpha [90.0000]
_cell... |
mp-10638 | ZrSb | data_[Zr12Sb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8173]
_cell_length_b [10.5459]
_cell_length_c [14.2127]
_cell_angle_alpha [90.0000]
_ce... |
mp-22698 | DyFeSi | data_[Dy2Fe2Si2]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0424]
_cell_length_b [4.0424]
_cell_length_c [6.4782]
_... |
mp-16317 | Si5Pt12 | data_[Si10Pt24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.6015]
_cell_length_b [9.6015]
_cell_length_c [5.5837]
_cell_angle_alpha [90.0000]
_cell... |
mp-9972 | YSi | data_[Y4Si4]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2892]
_cell_length_b [10.5619]
_cell_length_c [3.8425]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1078695 | NdCoSb2 | data_[Nd2Co2Sb4]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3900]
_cell_length_b [4.3900]
_cell_length_c [9.8599]
_... |
mp-1205532 | Rb3GdF6 | data_[Rb12Gd4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Gd 1.2000 1.8000 1.0750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.7899]
_cell_length_b [9.7899]
_cell_length_c [9.7899]
_c... |
mp-761285 | Sc2V2O7 | data_[Sc4V4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3164]
_cell_length_b [9.0657]
_cell_length_c [5.1930]
_cell_... |
mp-753597 | Li2VF6 | data_[Li4V2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.2001]
_cell_length_b [5.2302]
_cell_length_c [9.2150]
_cell_an... |
mp-15557 | Cs2As3 | data_[Cs16As24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [9.8702]
_cell_length_b [10.6500]
_cell_length_c [16.0482]
_cell_angle_alpha [90.0000]
_ce... |
mp-2969 | CsSbSe2 | data_[Cs4Sb4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0709]
_cell_length_b [10.2635]
_cell_length_c [7.5901]
... |
mp-755255 | Cu3OF5 | data_[Cu6O2F10]
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 [P2_1]
_cell_length_a [5.8833]
_cell_length_b [4.6122]
_cell_length_c [7.6294]
_cell_... |
mp-1207199 | PrAsPd | data_[Pr2As2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.4006]
_cell_length_b [4.4006]
_cell_length_c [7.9170]... |
mp-18757 | Sr2CdWO6 | data_[Sr4Cd2W2O12]
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
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.8196]
_cell_length_b [5.8196... |
mp-1078258 | Cs2AgBiCl6 | data_[Cs8Ag4Bi4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ag 1.9300 1.6000 1.0867
Bi 2.0200 1.6000 1.0350
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.9581]
_cell_length_b [... |
mp-20086 | MnSn2 | data_[Mn4Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.6224]
_cell_length_b [6.6224]
_cell_length_c [5.4225]
_cell_angle_alpha [90.0000]
_cell... |
mp-1189736 | ErNiO3 | data_[Er4Ni4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.1814]
_cell_length_b [5.5590]
_cell_length_c [9.0516]
_c... |
mp-1184524 | GdDyZn2 | data_[Gd4Dy4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Dy 1.2200 1.7500 1.1310
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1787]
_cell_length_b [7.1787]
_cell_length_c [7.1787]
_c... |
mp-1104032 | Lu3Ga8Ir3 | data_[Lu6Ga16Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1630]
_cell_length_b [9.9520]
_cell_length_c [12.1157]
_... |
mp-672959 | Li2Cu(PO3)4 | data_[Li2Cu1P4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
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 [4.9251]
_cell_length_b [7.1218]... |
mp-6770 | BaLa2MnS5 | data_[Ba4La8Mn4S20]
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
Mn 1.5500 1.4000 0.8775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.0285]
_cell_length_b [8.... |
mp-862693 | BaNaH3Pd | data_[Ba2Na2H6Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.0897]
_cell_length_b [6... |
mp-7480 | RbLuO2 | data_[Rb3Lu3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Lu 1.2700 1.7500 1.0010
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4188]
_cell_length_b [3.4188]
_cell_length_c [19.5830]
_cel... |
mp-1220271 | Nd6Cd5Si7 | data_[Nd12Cd10Si14]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.9721]
_cell_length_b [4.3189]
_cell_length_c [17.5868]
... |
mp-12689 | Er2InPd2 | data_[Er4In2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.7051]
_cell_length_b [7.7051]
_cell_length_c [3.6801]
_... |
mp-31276 | Cd2PCl2 | data_[Cd8P4Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
P 2.1900 1.0000 0.5500
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8537]
_cell_length_b [9.1178]
_cell_length_c [8.1414]
_ce... |
mp-1113391 | CsRb2LuCl6 | data_[Cs4Rb8Lu4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
Lu 1.2700 1.7500 1.0010
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.6783]
_cell_length_b [... |
mp-13798 | K2NaTlF6 | data_[K8Na4Tl4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
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 [8.8914]
_cell_length_b [8.891... |
mp-21367 | LaIn2Pd | data_[La4In8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.7055]
_cell_length_b [10.8723]
_cell_length_c [7.6186]
_c... |
mp-8772 | ScB12 | data_[Sc4B48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4115]
_cell_length_b [7.4115]
_cell_length_c [7.4115]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1225395 | Dy(CuTe)3 | data_[Dy6Cu18Te18]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.4559]
_cell_length_b [7.4559]
_cell_length_c [21.0089]
_... |
mp-1187308 | Tb3Pm | data_[Tb6Pm2]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.2587]
_cell_length_b [7.2587]
_cell_length_c [5.8221]
_cell_angle_alpha [90.0000]
_ce... |
mp-1226005 | CoSbTe | data_[Co2Sb2Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.3169]
_cell_length_b [3.8212]
_cell_length_c [6.2603]
_ce... |
mp-28770 | Ca2FeN2 | data_[Ca8Fe4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Fe 1.8300 1.4000 0.8525
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8752]
_cell_length_b [4.9644]
_cell_length_c [6.7137]
_cel... |
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