Post-perovskite
MgSiO3
third-order Birch-Murnaghan · Cited · 2016
Why this differs from similar rows?
Cites Tsuchiya et al. ab initio LDA result (Table 1); other rows cite different original studies/methods (GGA theory, shock experiment).
V₀
163.81
ų/cell
Formula unit
K₀
222
GPa
Isothermal
K′
4.200
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 163.81 | ų/cell | Formula unit | — |
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 initioab initio (DFT, LDA)
- Sample
- Table 1 row: Tsuchiya et al. (Ab initio, LDA)
Source
- Paper
- Experimental and theoretical thermal equations of state of MgSiO3 post-perovski…
- Authors
- Takeshi Sakai; Haruhiko Dekura; Naohisa Hirao
- DOI
- 10.1038/srep22652
- Year
- 2016
- Journal
- Scientific Reports
- Origin
- Cited (quoted from earlier work)
Evidence from the paper
Table 1: 3BM/Vinet | 163.81± 0.05 | 222± 1 | 4.2± 0.1 | γ0=1.64 | θ0=1100 | Ab initio, LDA | Tsuchiya et al.4
Additional notes
gamma0
1.64
theta0 K
1100
reference
Tsuchiya et al. (ref. 4)