Prediction of new stable crystal structures for ternary ErAgTe2
Descrição
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
COPEX: co-evolutionary crystal structure prediction algorithm for complex systems
Predicting Band Gaps with Hybrid Density Functionals
Electronic band structure for (a) In 2 Ge 2 Te 6 , (b) InGeTe 3 , (c)
Electronic band structure of ZrX 2 (X = S, Se, and Te) compounds along
Calculated defect formation enthalpies D H d,q in trigonal Tm oh Ag oh
Total and projected density of states (a) In 2 Si 2 Te 6 . (b) InSiTe 3
Crystal Structure Prediction Approach to Explore the Iron Carbide Phases: Novel Crystal Structures and Unexpected Magnetic Properties
COPEX: co-evolutionary crystal structure prediction algorithm for complex systems
Reliable crystal structure predictions from first principles
Crystal and electronic structures of the new ternary gallide Zr12Pd40−xGa31+y (x = 0–1.5, y = 0–0.5) - ScienceDirect
Crystal structure prediction – Tuckerman Research Group
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