Bridgmanite

MgSiO3

unknown · Cited · 2011

Why this differs from similar rows?

Table I cites a first-principles GGA calculation (labeled ref [75] in the table); sibling rows cite different methods/sources (HF, LDA studies, or experiment).

V₀

168.04

Å³

Unit cell

K₀

—

K′

—

dimensionless

Volume (V₀)

Value	Unit	Basis	Z
168.04	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: orthorhombic perovskite (Pbnm/Pnma)
Method: first-principles DFT / ab initio
first-principles GGA calculation (cited)
Sample: Table I, GGA [75] column

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 = 168.04 for GGA [75]; B/GPa = 231.3, G/GPa = 162.3.

Additional notes

B GPa adiabatic from elastic

231.3

G GPa

162.3

a0 A

4.8337

b0 A

4.983

c0 A

6.9767

note

reference label [75] appears in Table I but the reference list ends at [51]; likely a typographical error in the source