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Unexpected Ground-State Structure and Mechanical Properties of Ir(2)Zr Intermetallic Compound
Using an unbiased structure searching method, a new orthorhombic Cmmm structure consisting of ZrIr(12) polyhedron building blocks is predicted to be the thermodynamic ground-state of stoichiometric intermetallic Ir(2)Zr in Ir-Zr systems. The formation enthalpy of the Cmmm structure is considerably l...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5793601/ https://www.ncbi.nlm.nih.gov/pubmed/29320470 http://dx.doi.org/10.3390/ma11010103 |