Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe7O6
XC: PBE
Energy:
-291.835548 Ha
(-7,941.25 eV, -183,129.6 kcal/mol)
Enthalpy:
-291.792525 Ha
(-7,940.08 eV, -183,102.6 kcal/mol)
ฮ(H โ E):
0.043023 Ha
(1.17 eV, 27.0 kcal/mol)
Entropy: 86.22 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) |