Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe1O2
XC: PBE
Energy:
-59.741797 Ha
(-1,625.66 eV, -37,488.5 kcal/mol)
Enthalpy:
-59.732702 Ha
(-1,625.41 eV, -37,482.8 kcal/mol)
ฮ(H โ E):
0.009095 Ha
(0.25 eV, 5.7 kcal/mol)
Entropy: 31.39 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) |