Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe3O4
XC: PBE
Energy:
-147.808005 Ha
(-4,022.06 eV, -92,750.9 kcal/mol)
Enthalpy:
-147.784662 Ha
(-4,021.43 eV, -92,736.3 kcal/mol)
ฮ(H โ E):
0.023343 Ha
(0.64 eV, 14.6 kcal/mol)
Entropy: 52.13 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) |