Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Ni7O7
XC: PBE
Energy:
-411.379420 Ha
(-11,194.20 eV, -258,144.5 kcal/mol)
Enthalpy:
-411.328789 Ha
(-11,192.83 eV, -258,112.7 kcal/mol)
ฮ(H โ E):
0.050631 Ha
(1.38 eV, 31.8 kcal/mol)
Entropy: 83.63 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) |