Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe6O9
XC: PBE
Energy:
-311.722598 Ha
(-8,482.40 eV, -195,608.9 kcal/mol)
Enthalpy:
-311.669738 Ha
(-8,480.97 eV, -195,575.7 kcal/mol)
ฮ(H โ E):
0.052860 Ha
(1.44 eV, 33.2 kcal/mol)
Entropy: 89.21 cal molโปยน Kโปยน
Charge: 0
Multiplicity: 1
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) |