Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Co1O6Sr2W1
XC: PBE
Energy:
-184.155618 Ha
(-5,011.13 eV, -115,559.4 kcal/mol)
Enthalpy:
-184.119389 Ha
(-5,010.14 eV, -115,536.7 kcal/mol)
ฮ(H โ E):
0.036229 Ha
(0.99 eV, 22.7 kcal/mol)
Entropy: 50.72 cal molโปยน Kโปยน
Charge: 0
Multiplicity: 2
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) |