Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe4Na4O8
XC: PBE
Energy:
-254.821694 Ha
(-6,934.05 eV, -159,903.0 kcal/mol)
Enthalpy:
-254.764098 Ha
(-6,932.48 eV, -159,866.9 kcal/mol)
ฮ(H โ E):
0.057596 Ha
(1.57 eV, 36.1 kcal/mol)
Entropy: 82.19 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) |