Bridgmanite

100 mol% Al2O3 via CCM (MgSi -> AlAl)

third-order Birch-Murnaghan · Original · 2005

V₀

42.83

Å³

Unit cell

K₀

205

GPa

Isothermal

K′

4.030

dimensionless

Volume (V₀)

Value	Unit	Basis	Z
42.83	Å³	Unit cell	—

Reported value and unit are preserved as extracted. Z (formula units per cell) is not stored yet, so molar ↔ Å³/f.u. conversion is not applied automatically.

Composition

Oxide	Molar
Al2O3	1

Formula: 100 mol% Al2O3 via CCM (MgSi -> AlAl)

Conditions & method

T_ref: —
P_ref: —
Structure: perovskite (unspecified)
Method: first-principles DFT / ab initio
static ab-initio DFT (VASP, GGA), fit of internal energy vs volume
Sample: Table 1, Perovskite, Substitution: CCM, 100 mol% Al2O3

Source

Paper: Effect of Al on the sharpness of the MgSiO3 perovskite to post‐perovskite phase…
Authors: S. Akber‐Knutson; Gerd Steinle‐Neumann; Paul D. Asimow
DOI: 10.1029/2005gl023192
Year: 2005
Journal: Geophysical Research Letters
Origin: Original (measured or fitted in the source paper)

Evidence from the paper

Table 1: Perovskite, CCM, 100 mol%, V0 = 42.83 Å^3, K0 = 205 GPa, K' = 4.03. 'Equations of state are obtained from fitting internal energy versus volume to the third-order Birch-Murnaghan equation of state.'

Additional notes

substitution mechanism

charge coupled mechanism (CCM): MgSi -> AlAl

normalization

All values have been normalized for approximately 5-atom unit cells