Post-perovskite
MgSiO3
unknown · Cited · 2006
Why this differs from similar rows?
Table 1 cites Ref. 5 (Oganov & Ono 2004) GGA result, a different DFT functional than the LDA value from the same reference in the sibling row.
V₀
167.6
ų
Unit cell
K₀
200
GPa
Unknown
K′
4.500
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 167.6 | 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 initiofirst-principles calculation (generalized gradient approximation)
- Sample
- theoretical, Ref. 5 (Oganov & Ono 2004), GGA
Source
- Paper
- Equation of state of the postperovskite phase synthesized from a natural (Mg,Fe…
- Authors
- S. R. Shieh; T. S. Duffy; Atsushi Kubo; Guoyin Shen; Vitali B. Prakapenka; Nagayoshi Sata; Kei Hirose; Yasuo Ohishi
- DOI
- 10.1073/pnas.0506811103
- Year
- 2006
- Journal
- Proceedings of the National Academy of Sciences
- Origin
- Cited (quoted from earlier work)
Evidence from the paper
Table 1: CaIrO3-type, Ref. 5, GGA: V0 (ų) 167.6, K0 (GPa) 200.0, dK0/dP 4.5. GGA, generalized gradient approximation.