Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: F10Fe2H8Mn2O4
XC: PBE
Energy:
-401.354008 Ha
(-10,921.40 eV, -251,853.4 kcal/mol)
Enthalpy:
-401.192987 Ha
(-10,917.02 eV, -251,752.4 kcal/mol)
ฮ(H โ E):
0.161021 Ha
(4.38 eV, 101.0 kcal/mol)
Entropy: 87.79 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) |