Bridgmanite
MgSiO3
third-order Birch-Murnaghan · Original · 2006
V₀
161.658
ų
Unit cell
K₀
255
GPa
Isothermal
K′
4
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 161.658 | 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
- orthorhombic perovskite (Pbnm/Pnma)
- Method
- first-principles DFT / ab initiofirst-principles DFT (LDA, plane-wave pseudopotentials, ABINIT)
- Sample
- Table 1, Theory (0 K), third-order fit (index b)
Source
- Paper
- First-Principles Study of Orthorhombic Perovskites MgSiO 3 up to 120 GPa and It…
- Authors
- Deng Li-Wei; Zhao Ji-jun; Guang‐Fu Ji; Gong Zi-Zheng; Wei Dong-Qing
- DOI
- 10.1088/0256-307x/23/8/101
- Year
- 2006
- Journal
- Chinese Physics Letters
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
Based on the calculated E-V relation, isothermal bulk modulus K0 and its first derivative K0' can be fitted by the third- and fourth-order Birch equation of state ... Table 1: V0 = 161.658^b, K0 (GPa) = 255.0^b, K0' = 4.00^b; 'Both third-order (index as b) and fourth-order (indexed as a) fitting are conduced.'
Additional notes
note
Values at zero pressure and zero temperature from DFT-LDA E-V fit.