Periclase
MgO
third-order Birch-Murnaghan · Original · 2003
V₀
88.006
ų
Unit cell
K₀
88.473
GPa
Isothermal
K′
4.385
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 88.006 | ų | Unit cell | — |
Reported value and unit are preserved as extracted. Z (formula units per cell) is not stored yet, so molar ↔ ų/f.u. conversion is not applied automatically.
Composition
| Oxide | Molar |
|---|---|
| MgO | 1 |
Formula: MgO
Conditions & method
- Tref
- 4000 K
- Pref
- —
- Structure
- B1 rocksalt (Fm-3m)
- Method
- first-principles DFT / ab initiopressure-corrected GGA-PAW static EOS + quasiharmonic (Debye) + intrinsic anharmonic model, BM3 fit
- Sample
- Table V row: 4000 K (pressure-corrected thermal EOS)
Source
- Paper
- All-electron and pseudopotential study of MgO: Equation of state, anharmonicity…
- Authors
- Artem R. Oganov; Peter I. Dorogokupets
- DOI
- 10.1103/physrevb.67.224110
- Year
- 2003
- Journal
- Physical review. B, Condensed matter
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
TABLE V. Pressure-corrected EOS in the BM3 parametrization at several temperatures. 4000 | 88.006 | 88.473 | 4.385.