Prediction of new stable crystal structures for ternary ErAgTe2

Structure prediction drives materials discovery

Prediction of new stable crystal structures for ternary ErAgTe2 and YAgTe2 semiconductors: Ab initio study - ScienceDirect

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

Crystal structures of trigonal (R3).

Combinatorial study of thermal stability in ternary nanocrystalline alloys - ScienceDirect

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

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

Old puzzle of incommensurate crystal structure of calaverite AuTe2 and predicted stability of novel AuTe compound

Crystal structure prediction at finite temperatures

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