Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Ni5O7
XC: PBE
Energy:
-325.659027 Ha
(-8,861.63 eV, -204,354.1 kcal/mol)
Enthalpy:
-325.614844 Ha
(-8,860.43 eV, -204,326.4 kcal/mol)
ฮ(H โ E):
0.044183 Ha
(1.20 eV, 27.7 kcal/mol)
Entropy: 76.50 cal molโปยน Kโปยน
Charge: 0
Multiplicity: 3
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) |