Composition with sublattices stringlengths 13 39 | Composition stringlengths 7 33 | O pband (GGA+U)_[eV] float64 -6.33 -0.58 | O pband (GGA)_[eV] float64 -6.33 -0.82 |
|---|---|---|---|
[Sr7Zn1][V8][O24] | Sr7Zn1V8O24 | -2.366 | -3.317 |
[Sr6Zn2][V8][O24] | Sr6Zn2V8O24 | -2.112 | -3.127 |
[Sr4Zn4][V8][O24] | Sr4Zn4V8O24 | -2.202 | -3.099 |
[Sr8][Nb1V7][O24] | Sr8Nb1V7O24 | -3.498 | -3.504 |
[Sr8][Nb2V6][O24] | Sr8Nb2V6O24 | -3.708 | -3.703 |
[Sr8][Nb4V4][O24] | Sr8Nb4V4O24 | -3.919 | -3.913 |
[Sr8][V7Ni1][O24] | Sr8V7Ni1O24 | -2.244 | -3.132 |
[Sr8][V6Ni2][O24] | Sr8V6Ni2O24 | -2 | -2.857 |
[Sr8][V4Ru4][O24] | Sr8V4Ru4O24 | -2.802 | -3.11 |
[Sr8][Ta1V7][O24] | Sr8Ta1V7O24 | -3.522 | -3.549 |
[Sr8][Ta2V6][O24] | Sr8Ta2V6O24 | -3.751 | -3.751 |
[Sr8][Ta4V4][O24] | Sr8Ta4V4O24 | -3.93 | -3.902 |
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