Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Al2Fe30O48
XC: PBE
Energy:
-1612.678372 Ha
(-43,883.21 eV, -1,011,971.0 kcal/mol)
Enthalpy:
-1612.386111 Ha
(-43,875.26 eV, -1,011,787.6 kcal/mol)
ฮ(H โ E):
0.292261 Ha
(7.95 eV, 183.4 kcal/mol)
Entropy: 331.30 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) |