Prediction of new stable crystal structures for ternary ErAgTe2
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Crystal Structure Prediction and its Application in Earth and Materials Sciences: Phase diagram of the Mg-MgO system: MgO is an exotic stable compound
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Crystal structure prediction at finite temperatures
Calculated defect formation enthalpies D H d,q in trigonal Tm oh Ag oh
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Crystal structure prediction at finite temperatures
Electronic band structure of ZrX 2 (X = S, Se, and Te) compounds along
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Crystal structures of trigonal (R3).
Crystal structure prediction from first principles
Total and partial DOS of Ta 5 GeB 2 . The Fermi level E F is set at 0 eV.
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