Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Al2Fe10O18
XC: PBE
Energy:
-572.516120 Ha
(-15,578.96 eV, -359,259.3 kcal/mol)
Enthalpy:
-572.403930 Ha
(-15,575.90 eV, -359,188.9 kcal/mol)
ฮ(H โ E):
0.112190 Ha
(3.05 eV, 70.4 kcal/mol)
Entropy: 123.12 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) |