Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Al2Fe10O18
XC: PBE
Energy:
-572.520342 Ha
(-15,579.07 eV, -359,261.9 kcal/mol)
Enthalpy:
-572.407966 Ha
(-15,576.01 eV, -359,191.4 kcal/mol)
ฮ(H โ E):
0.112376 Ha
(3.06 eV, 70.5 kcal/mol)
Entropy: 122.39 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) |