Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe2O6Si4
XC: PBE
Energy:
-167.926264 Ha
(-4,569.51 eV, -105,375.3 kcal/mol)
Enthalpy:
-167.878835 Ha
(-4,568.22 eV, -105,345.6 kcal/mol)
ฮ(H โ E):
0.047429 Ha
(1.29 eV, 29.8 kcal/mol)
Entropy: 42.02 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) |