Prediction of new stable crystal structures for ternary ErAgTe2

colour online) The phonon dispersion curve and phonon DOS for TiAsTe.

Population analysis of Ta 2 GeB 2 .

Electronic band structure for (a) In 2 Ge 2 Te 6 , (b) InGeTe 3 , (c)

Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases

Optimality guarantees for crystal structure prediction

COPEX: co-evolutionary crystal structure prediction algorithm for complex systems

Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases

Crystal structures of trigonal (R3).

colour online) The crystal structure view of TiAsTe.

Crystal structure prediction at finite temperatures

Particular features of the electronic structure and optical properties of Ag2PbGeS4 as evidenced from first-principles DFT calculations and XPS studies - ScienceDirect