Post-perovskite
MgSiO3
third-order Birch-Murnaghan · Cited · 2010
Why this differs from similar rows?
Table 1 compilation row citing Oganov and Ono's GGA first-principles result (ref 7), distinct from their own LDA row and other cited studies in the same table.
V₀
167.6
ų
Unit cell
K₀
200
GPa
Unknown
K′
4.500
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 167.6 | 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 |
| SiO2 | 1 |
Formula: MgSiO3
Conditions & method
- Tref
- —
- Pref
- —
- Structure
- post-perovskite (CaIrO3-type, Cmcm)
- Method
- first-principles DFT / ab initiofirst-principles calculation (GGA)
- Sample
- Table 1, Oganov and Ono (GGA)
Source
- Paper
- THERMODYNAMIC PROPERTIES OF MgSiO3 POST-PEROVSKITE
- Authors
- Zi‐Jiang Liu; Xiao Wei Sun; Cai‐Rong Zhang; Tian Li-na; Yuan Guo
- DOI
- 10.1142/s0217984910022391
- Year
- 2010
- Journal
- Modern Physics Letters B
- Origin
- Cited (quoted from earlier work)
Evidence from the paper
Table 1: Oganov and Ono (GGA)^7 167.6 / 200.0 / 4.5 (EOS third order BM). GGA: generalized gradient approximation