Periclase
MgO
fourth-order Birch-Murnaghan · Original · 1990
V₀
18.59
ų
Unit cell
K₀
184.600
GPa
Isothermal
K′
4.090
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 18.59 | 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
- —
- Pref
- —
- Structure
- B1 rocksalt (Fm-3m)
- Method
- first-principles DFT / ab initioab initio PIB model + quasi-harmonic lattice dynamics; fourth-order Birch fit of Helmholtz free energies vs volume
- Sample
- calculated, 0 K (with zero-point energy)
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
Table 1: 0 K column: V = 18.59 A^3; K_T = 184.6 GPa; K_T' = 4.09; K_T'' = -0.02 GPa^-1.
Additional notes
K T double prime
-0.02 GPa^-1