journal article·2019-10-01Open access

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

Sten Haastrup, Mikkel Strange, Mohnish Pandey, Thorsten Deilmann, Per S Schmidt, Nicki F Hinsche, Morten N Gjerding, Daniele Torelli, Peter M Larsen, Anders C Riis-Jensen, Jakob Gath, Karsten W Jacobsen, Jens Jørgen Mortensen, Thomas Olsen, Kristian S Thygesen

2D Materials· Volume 6· Issue 4

Abstract

Abstract In his comment Maździarz 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.
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Research context

OpenAlex topics: Electronic and Structural Properties of Oxides · Machine Learning in Materials Science · 2D Materials and Applications

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References (2)

Show source-provided references
1. Maździarz · 2D Mater. · 2019 · 610.1088/2053-1583/ab2ef3 ↗
2. Haastrup · 2D Mater. · 2018 · 510.1088/2053-1583/aacfc1 ↗