Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Ni2O4
XC: PBE
Energy:
-149.341574 Ha
(-4,063.79 eV, -93,713.3 kcal/mol)
Enthalpy:
-149.319193 Ha
(-4,063.18 eV, -93,699.2 kcal/mol)
ฮ(H โ E):
0.022381 Ha
(0.61 eV, 14.0 kcal/mol)
Entropy: 41.23 cal molโปยน Kโปยน
Charge: 0
Multiplicity: 5
Genome:
pspw:energy-pspw:energy-pspw:optimize-pspw:freq-pspw:wannier-pspw:wannier-pspw:wannier-pspw:pspw_dplot
Unit Cell
Pseudopotentials
Spin:
โ up
โ down
Atomic Spins:
Spin Data
| Atom |
Type |
Wannier |
DLY |
Bader |
ฮ(DโW) |
ฮ(BโW) |