Bridgmanite
MgSiO3
third-order Birch-Murnaghan · Original · 2009
V₀
168.12
Unit cell
K₀
234.800
GPa
Unknown
K′
4.199
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 168.12 | — | 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
- orthorhombic perovskite (Pbnm/Pnma)
- Method
- first-principles DFT / ab initiofirst-principles DFT (GGA-PBE, LAPW+lo, WIEN2k), static E-V fit
- Sample
- Table 1, 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, Perovskite: V_0 = 168.12; B_0 (GPa) = 234.8; B'_0 = 4.199. 'These energy points are then used to fit the parameters of the third-order Birch-Murnaghan equation of states (EOS)...'
Additional notes
note
V0 unit not explicitly stated in Table 1; four formula units per Pnma unit cell
formula units per cell
4