Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: F18Fe3Li3Mn3
XC: PBE
Energy:
-573.404141 Ha
(-15,603.12 eV, -359,816.5 kcal/mol)
Enthalpy:
-573.307989 Ha
(-15,600.50 eV, -359,756.2 kcal/mol)
ฮ(H โ E):
0.096152 Ha
(2.62 eV, 60.3 kcal/mol)
Entropy: 124.95 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) |