Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe2O2
XC: PBE
Energy:
-87.807609 Ha
(-2,389.37 eV, -55,100.1 kcal/mol)
Enthalpy:
-87.795337 Ha
(-2,389.03 eV, -55,092.4 kcal/mol)
ฮ(H โ E):
0.012272 Ha
(0.33 eV, 7.7 kcal/mol)
Entropy: 35.70 cal molโปยน Kโปยน
Charge: 0
Multiplicity: 11
Genome:
Unknown
Unit Cell
Pseudopotentials
Spin:
โ up
โ down
Atomic Spins:
Spin Data
| Atom |
Type |
Wannier |
DLY |
Bader |
ฮ(DโW) |
ฮ(BโW) |