Bridgmanite
MgSiO3
unknown · Cited · 2011
Why this differs from similar rows?
Table I cites first-principles LDA calculation ref [26] (Wentzcovitch et al. 1995); sibling rows cite different methods/sources (HF, other LDA studies, GGA, or experiment).
V₀
157.5
ų
Unit cell
K₀
—
K′
—
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 157.5 | 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 LDA calculation (cited)
- Sample
- Table I, LDA [26] column (Wentzcovitch et al. 1995)
Source
- Paper
- Elastic Tensor and Thermodynamic Property of Magnesium Silicate Perovskite from…
- Authors
- Zi‐Jiang Liu; Xiao Wei Sun; Cai‐Rong Zhang; Jianbo Hu; Ting Song; Jianhong Qi
- DOI
- 10.1088/1674-0068/24/06/703-710
- Year
- 2011
- Journal
- Chinese Journal of Chemical Physics
- Origin
- Cited (quoted from earlier work)
Evidence from the paper
Table I: V0/Å3 = 157.50 for LDA [26]; B/GPa = 267.1, G/GPa = 178.7.
Additional notes
B GPa adiabatic from elastic
267.1
G GPa
178.7
a0 A
4.711
b0 A
4.88
c0 A
6.851
reference
[26] Wentzcovitch, Ross, and Price, Phys. Earth Planet. Inter. 90, 101 (1995)