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Volume of Cell
Band Gap, PBE
Band Gap, HSE06
Band Gap, Experimental
Dielectric Constant
Dielectric Constant, Electronic
Dielectric Constant, Ionic
Energy Cutoff
Total Energy
Atomization Energy
Surface Energy
Interface Energy
Defect Formation Energy
Diffusion Barrier
Breakdown Field
Bulk Modulus
Phonon Cutoff
Density
Magnetization
Spontaneous Polarization
Refractive Index
Decomposition Energy
Formation Energy
Ionization Energy
Electron Affinity
Shear Modulus
Cohesive Energy
ID
Title
Natoms
Ntypes
Band Gap, HSE06
(eV)
Dielectric Constant
Dielectric Constant, Electronic
Dielectric Constant, Ionic
Atomization Energy
(eV/atom)
1296
O
4
Ag
4
8
2
1297
As
8
O
12
20
2
1298
Au
16
O
24
40
2
1299
Ba
4
O
4
8
2
1300
Bi
8
O
12
20
2
1301
Ca
4
O
4
8
2
1302
O
4
Cd
4
8
2
1303
Co
24
O
32
56
2
1304
Cr
12
O
18
30
2
1305
Cs
4
O
4
8
2
1306
O
2
Cu
2
4
2
1307
Fe
32
O
48
80
2
1308
O
12
Ga
8
20
2
1309
Ge
3
O
6
9
2
1310
Hf
4
O
8
12
2
Showing 1 to 15 of 45 records
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