Browsing First Principles Phase Stability (FPPS) Files by Subject

Now showing items 1-20 of 104

Subject
ab initio, antiphase boundary, ATAT [1]
Ac [1]
Ag [1]
Al [1]
AlN-GaN; GaN-InN; AlN-InN; First Principles Phase Diagram Calculation; Excess vibrational entropy [1]
Ar [1]
Au [1]
Au (Gold) [1]
Ba [1]
Be [1]
Bi [1]
Ca [1]
CaCO3-MgCO3, CdCO3-MgCO3, First Principles Phase Diagram Calculations, order-disorder [1]
CaCO3–MgCO3 [1]
Cd [1]
Ce [1]
Co [1]
Computational File Repository Categories::METHODS::First Principles [5]
Computational File Repository Categories::Methods::First Principles [1]
Computational File Repository Categories::PHASES::FCC_A1 [1]