Periclase
MgO
unknown · Cited · 2017
Why this differs from similar rows?
Cites ref. [58], LDA calculation, static value K0=173 GPa (164 GPa with ZPC per that source); sibling rows cite different sources, [59] (LDA) or [61] (GGA).
V₀
—
Unknown basis
K₀
173
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
- —
- Pref
- —
- Structure
- B1 rocksalt (Fm-3m)
- Method
- first-principles DFT / ab initioab initio LDA calculation
- Sample
- ab initio LDA calculation [58]
Source
- Paper
- First Principles Thermodynamics of Minerals at HP–HT Conditions: MgO as a Proto…
- Authors
- Donato Belmonte
- DOI
- 10.3390/min7100183
- Year
- 2017
- Journal
- Minerals
- Origin
- Cited (quoted from earlier work)
Evidence from the paper
Table 1: T = 0 K, K_T (GPa) LDA [58] = 173 (static value); 164 (value with zero-point correction, ZPC).
Additional notes
K0 with ZPC
164 GPa
ZPC effect on KT
~6% according to LDA [58]