Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: B4Fe4Mg4O16
XC: PBE
Energy:
-383.997881 Ha
(-10,449.11 eV, -240,962.3 kcal/mol)
Enthalpy:
-383.878814 Ha
(-10,445.87 eV, -240,887.6 kcal/mol)
ฮ(H โ E):
0.119067 Ha
(3.24 eV, 74.7 kcal/mol)
Entropy: 101.92 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) |