Periclase
MgO
unknown · Cited · 2001
Why this differs from similar rows?
Cites LAPW LDA calculation (Ref. 22) for MgO in Table I; other rows cite different original studies/methods.
V₀
—
Unknown basis
K₀
172
GPa
Unknown
K′
4.090
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 initioLAPW LDA calculation (cited)
- Sample
- Table I, MgO row, LAPW LDA (Ref. 22)
Source
- Paper
- Systematics of elasticity: Ab initio study in B1-type alkaline earth oxides
- Authors
- Taku Tsuchiya; Katsuyuki Kawamura
- DOI
- 10.1063/1.1371498
- Year
- 2001
- Journal
- The Journal of Chemical Physics
- Origin
- Cited (quoted from earlier work)
Evidence from the paper
Table I: MgO | 4.167 | 172 | 4.09 | (b) LAPW LDA (Ref. 22).
Additional notes
lattice constant a
4.167 Å