Ferropericlase
MgO
unknown · Cited · 2008
V₀
—
Unknown basis
K₀
180.100
GPa
Isothermal
K′
—
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 calculation (Helmholtz energy F vs V, derivatives give P and BT)
- Sample
- MgO (ab-initio PIB model, Isaak et al. [6])
Source
- Paper
- Bulk Modulus and Equation of State Under the Effect of Highv Temperature and Hi…
- Authors
- Quan Liu
- DOI
- 10.1515/zna-2008-1-209
- Year
- 2008
- Journal
- Zeitschrift für Naturforschung A
- Origin
- Cited (quoted from earlier work)
Evidence from the paper
Table 2: at 300 K, r = 2.105 A, P = (0), BT = (180.1); 'The ab-initio values [6] are given within parentheses.' Isaak et al. [6] calculated the thermoelastic properties of MgO at high temperatures and high pressures using the potential-induced breathing (PIB) electron gas model based on the first principles approach.
Additional notes
note
Literature (cited) ab-initio zero-pressure isothermal bulk modulus of MgO at 300 K from Isaak, Cohen & Mehl (1990), tabulated in parentheses in Table 2. No V0 or K' reported.