Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Co4Fe9
XC: PBE
Energy:
-391.463344 Ha
(-10,652.26 eV, -245,647.0 kcal/mol)
Enthalpy:
-391.425449 Ha
(-10,651.23 eV, -245,623.2 kcal/mol)
ฮ(H โ E):
0.037895 Ha
(1.03 eV, 23.8 kcal/mol)
Entropy: 113.15 cal molโปยน Kโปยน
Charge: 0
Multiplicity: 15
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) |