Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Cr6O10
XC: PBE
Energy:
-232.951455 Ha
(-6,338.93 eV, -146,179.2 kcal/mol)
Enthalpy:
-232.892987 Ha
(-6,337.34 eV, -146,142.6 kcal/mol)
ฮ(H โ E):
0.058468 Ha
(1.59 eV, 36.7 kcal/mol)
Entropy: 83.49 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) |