Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Al3Fe9O18
XC: PBE
Energy:
-546.646131 Ha
(-14,875.00 eV, -343,025.6 kcal/mol)
Enthalpy:
-546.534915 Ha
(-14,871.97 eV, -342,955.8 kcal/mol)
ฮ(H โ E):
0.111216 Ha
(3.03 eV, 69.8 kcal/mol)
Entropy: 124.10 cal molโปยน Kโปยน
Charge: 0
Multiplicity: 6
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) |