Periclase

MgO

Vinet · Original · 1996

V₀

123.747

Unit cell

K₀

157

GPa

Isothermal

K′

4.370

dimensionless

Volume (V₀)

Value	Unit	Basis	Z
123.747	au	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

Formula: MgO

Conditions & method

T_ref: —
P_ref: —
Structure: B1 rocksalt (Fm-3m)
Method: first-principles DFT / ab initio
theoretical calculation (augmented-plane-wave method / quantum-statistical model), static lattice
Sample: theoretical (APW calculation, static lattice)

Source

Paper: The search for a universal equation of state correct up to very high pressures
Authors: Juichiro Hama; Kaichi Suito
DOI: 10.1088/0953-8984/8/1/008
Year: 1996
Journal: Journal of Physics Condensed Matter
Origin: Original (measured or fitted in the source paper)

Evidence from the paper

Table 1. The theoretical values of V0 (au), B0 (GPa), B0' and B0'' (GPa^-1) ... MgO 123.747 157 4.37 -0.040 1.101 -0.036. The theoretical values of B0, B0' and B0'' are determined from the calculated pressures at about V/V0 = 1.05-0.85 with V0 as the calculated zero-pressure volume.

Additional notes

B0 double prime

-0.040 GPa^-1

zeta eq20

1.101

B0 double prime from eq20

-0.036 GPa^-1

note

Theoretical static-lattice values used as input parameters for comparing several universal EOSs; MgO discussed as a diatomic (two atoms per unit cell) solid.