Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Al1Fe11O18
XC: PBE
Energy:
-598.297199 Ha
(-16,280.50 eV, -375,437.2 kcal/mol)
Enthalpy:
-598.185411 Ha
(-16,277.45 eV, -375,367.0 kcal/mol)
ฮ(H โ E):
0.111788 Ha
(3.04 eV, 70.1 kcal/mol)
Entropy: 127.14 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) |