Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Ni6O9
XC: PBE
Energy:
-400.476932 Ha
(-10,897.53 eV, -251,303.1 kcal/mol)
Enthalpy:
-400.420708 Ha
(-10,896.00 eV, -251,267.8 kcal/mol)
ฮ(H โ E):
0.056224 Ha
(1.53 eV, 35.3 kcal/mol)
Entropy: 75.84 cal molโปยน Kโปยน
Charge: 0
Multiplicity: 5
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) |