Bridgmanite

MgSiO3

third-order Birch-Murnaghan · Original · 2022

V₀

42.44

Å³/f.u.

Formula unit

K₀

226.470

GPa

Isothermal

K′

3.890

dimensionless

Volume (V₀)

Value	Unit	Basis	Z
42.44	Å³/f.u.	Formula unit	—

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
MgO	1
SiO2	1

Formula: MgSiO3

Conditions & method

T_ref: 300 K
P_ref: —
Structure: orthorhombic perovskite (Pbnm/Pnma)
Method: molecular dynamics
ab initio calculation (PHQ approach, AIMD, PBE-GGA); F(V) fitted to third-order finite strain expansion
Sample: Table I, Pv PBE

Source

Paper: Anharmonic thermodynamic properties and phase boundary across the postperovskit…
Authors: Zhen Zhang; Renata M. Wentzcovitch
DOI: 10.1103/physrevb.106.054103
Year: 2022
Journal: Physical review. B./Physical review. B
Origin: Original (measured or fitted in the source paper)

Evidence from the paper

TABLE I. Calculated EOS parameters at 300 K ... Pv PBE: V0 = 42.44 Å3/MgSiO3, K0 = 226.47 GPa, K'0 = 3.89

Additional notes

exchange correlation

PBE-GGA