Periclase

MgO

third-order Birch-Murnaghan · Original · 2001

V₀

—

Unknown basis

K₀

160

GPa

Isothermal

K′

4.010

dimensionless

Volume (V₀)

Value	Unit	Basis	Z
—	—	Unknown basis	—

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
ab initio FP-LMTO GGA static total-energy calculation, least-squares fit of V-E curves
Sample: Table I, MgO row, this work

Source

Paper: Systematics of elasticity: Ab initio study in B1-type alkaline earth oxides
Authors: Taku Tsuchiya; Katsuyuki Kawamura
DOI: 10.1063/1.1371498
Year: 2001
Journal: The Journal of Chemical Physics
Origin: Original (measured or fitted in the source paper)

Evidence from the paper

The volume (V0), the bulk modulus (B0), and its pressure derivative (B0') at ambient pressure were estimated by a least-square fit of calculated V-E curves to the integrated form of the third-order Birch-Murnaghan's equation of state. Table I: MgO | a = 4.259 Å | B0 = 160 GPa | B' = 4.01 | (a) This work.

Additional notes

lattice constant a

4.259 Å

note

Only the cubic lattice constant a is tabulated, not V0; Table II (this work) also gives aggregate B = 164 GPa from elastic constants at zero pressure.