Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Co1F1Fe31O47
XC: PBE
Energy:
-1679.443775 Ha
(-45,699.99 eV, -1,053,866.9 kcal/mol)
Enthalpy:
-1679.153154 Ha
(-45,692.08 eV, -1,053,684.5 kcal/mol)
ฮ(H โ E):
0.290621 Ha
(7.91 eV, 182.4 kcal/mol)
Entropy: 337.92 cal molโปยน Kโปยน
Charge: 0
Multiplicity: 3
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) |