Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Al1Fe23O32
XC: PBE
Energy:
-1158.478237 Ha
(-31,523.80 eV, -726,956.1 kcal/mol)
Enthalpy:
-1158.269843 Ha
(-31,518.13 eV, -726,825.3 kcal/mol)
ฮ(H โ E):
0.208394 Ha
(5.67 eV, 130.8 kcal/mol)
Entropy: 233.42 cal molโปยน Kโปยน
Charge: 0
Multiplicity: 6
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) |