Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe24H24O48
XC: PBE
Energy:
-1454.064974 Ha
(-39,567.12 eV, -912,439.5 kcal/mol)
Enthalpy:
-1453.542987 Ha
(-39,552.92 eV, -912,112.0 kcal/mol)
ฮ(H โ E):
0.521987 Ha
(14.20 eV, 327.6 kcal/mol)
Entropy: 318.79 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) |