Reply to comment on 'The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals'

Research output: Contribution to journalJournal article – Annual report year: 2019Communication

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In his comment Mazdziarz 2019 (2D Mater. 6 048001) raises doubts concerning the reliability of our test for dynamical (in particular elastic) stability of monolayer materials, which neglects the shear components of the stiffness tensor and only considers the sign of the planar stiffness coefficients. We agree that our analysis has not been complete, but find that it suffices in practice except for very few cases (less than 1% of the materials). Nevertheless, for completeness we are currently calculating the shear components of the elastic tensor for all the materials in the C2DB.
Original languageEnglish
Article number048002
Journal2D materials
Volume6
Issue number4
Number of pages3
ISSN2053-1583
DOIs
Publication statusPublished - 2019
CitationsWeb of Science® Times Cited: No match on DOI

    Research areas

  • 2D materials, High-throughput, Database, Density functional theory

ID: 189362838