Periclase
MgO
third-order Birch-Murnaghan · Original · 2003
V₀
76.549
ų
Unit cell
K₀
152.595
GPa
Isothermal
K′
4.130
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 76.549 | 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
- 1000 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: 1000 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. 1000 | 76.549 | 152.595 | 4.130.