Finding the Lowest-Energy Crystal Structure Starting From Randomly Selected Lattice Vectors and Atomic Positions: First Principles Evolutionary Study of the Au-Pd, Cd-Pt, Al-Sc, Cu-Pd, Pd-Ti, and Ir-N Binary Systems: Article No. 295212

Research output: Contribution to journalArticlepeer-review

Original languageAmerican English
Number of pages11
JournalJournal of Physics Condensed Matter
Issue number29
StatePublished - 2008

NREL Publication Number

  • NREL/JA-2A0-43071


  • ab initio
  • crystal lattice
  • global space-group optimization (GSGO)

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