Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe5O7
XC: PBE
Energy:
-251.770458 Ha
(-6,851.02 eV, -157,988.3 kcal/mol)
Enthalpy:
-251.728953 Ha
(-6,849.89 eV, -157,962.3 kcal/mol)
ฮ(H โ E):
0.041505 Ha
(1.13 eV, 26.0 kcal/mol)
Entropy: 80.36 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) |