Post-perovskite
MgSiO3
third-order Birch-Murnaghan · Original · 2009
V₀
168.29
Unit cell
K₀
223.730
GPa
Unknown
K′
4.152
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 168.29 | — | 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 DFT (GGA-PBE, LAPW+lo, WIEN2k), static E-V fit
- Sample
- Table 1, Post-perovskite column, this study
Source
- Paper
- FIRST-PRINCIPLES STUDY OF THE STRUCTURAL, ELECTRONIC AND OPTICAL PROPERTIES OF …
- Authors
- Yanling Li; Zhi Zeng
- DOI
- 10.1142/s0129183109014242
- Year
- 2009
- Journal
- International Journal of Modern Physics C
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
Table 1: 3-rd B-M EOS, Post-perovskite: V_0 = 168.29; B_0 (GPa) = 223.73; B'_0 = 4.152.
Additional notes
note
V0 unit not explicitly stated in Table 1; two formula units per Cmcm unit cell
formula units per cell
2