Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe10O18Si1Zn1
XC: PBE
Energy:
-640.160294 Ha
(-17,419.65 eV, -401,706.6 kcal/mol)
Enthalpy:
-640.046020 Ha
(-17,416.54 eV, -401,634.9 kcal/mol)
ฮ(H โ E):
0.114274 Ha
(3.11 eV, 71.7 kcal/mol)
Entropy: 141.97 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) |