Periclase
MgO
third-order Birch-Murnaghan · Original · 1990
V₀
—
Unknown basis
K₀
183.100
GPa
Isothermal
K′
3.950
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| — | — | Unknown basis | — |
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
- 300 K
- Pref
- —
- Structure
- B1 rocksalt (Fm-3m)
- Method
- first-principles DFT / ab initioab initio PIB model + quasi-harmonic lattice dynamics; third-order Birch fit of energy with volume
- Sample
- calculated, 300 K isotherm (third-order fit sensitivity test)
Source
- Paper
- Calculated elastic and thermal properties of MGO at high pressures and temperat…
- Authors
- Donald G. Isaak; R. E. Cohen; Michael J. Mehl
- DOI
- 10.1029/jb095ib05p07055
- Year
- 1990
- Journal
- Journal of Geophysical Research Atmospheres
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
With a third-order Birch fit we obtain at 300 K values for K, K', and K'' of 183.1 GPa, 3.95, and -0.021 GPa^-1, respectively, compared to 180.1 GPa, 4.15, and -0.026 GPa^-1 from the fourth-order fit.
Additional notes
K double prime
-0.021 GPa^-1