Bridgmanite

MgSiO3

unknown · Cited · 1998

Why this differs from similar rows?

Cites Wentzcovitch et al. [1995] ab initio MD result (Table 1); text notes this gives volumes ~2% smaller than experiment; sibling row cites Hemley et al. [1987] PIB model instead.

V₀

157.5

Å³

Unit cell

K₀

259

GPa

Unknown

K′

3.900

dimensionless

Volume (V₀)

Value	Unit	Basis	Z
157.5	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
MgO	1
SiO2	1

Formula: MgSiO3

Conditions & method

T_ref: —
P_ref: —
Structure: other / unspecified
Method: molecular dynamics
first-principles molecular dynamics within LDA
Sample: Table 1, ab initio MD theoretical static lattice (Wentzcovitch et al. [1995])

Source

Paper: Equation of state of MgSiO3 perovskite and its thermoelastic properties under l…
Authors: Juichiro Hama; Kaichi Suito
DOI: 10.1029/97jb03672
Year: 1998
Journal: Journal of Geophysical Research Atmospheres
Origin: Cited (quoted from earlier work)

Evidence from the paper

Table 1: 157.50 Å3, 259.0 GPa, 3.9, ab initio MD, (b) Wentzcovitch et al. [1995]. 'When the values by Wentzcovitch et al. are used in the present EOS, volumes of respective isobars are ~2% smaller than experimental ones.'

Additional notes

reference

Wentzcovitch et al. [1995]

note

static lattice values at zero pressure; not adopted in this study