Post-perovskite
MgSiO3
third-order Birch-Murnaghan · Original · 2010
V₀
163.3
ų
Unit cell
K₀
219.300
GPa
Unknown
K′
4.400
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 163.3 | 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 initioab initio DFT (LDA, pseudopotentials, plane-wave basis, CASTEP), static E-V fit
- Sample
- Table 1, This work
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
- Original (measured or fitted in the source paper)
Evidence from the paper
Based on the computed E-V relations, we fit E-V data points to the third-order Birch-Murnagham equations of state (EOS). The calculated bulk modulus K0, bulk modulus pressure derivative K'0, and ambient pressure volume V0 are 219.3 GPa, 4.4 and 163.3 Å^3, respectively. Table 1: This work 163.3 / 219.3 / 4.4