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

By Marcin Maździarz. 2D Materials, 2018

207 citations recorded by the source corpus.

Recently Haastrup et al 2018 (2D Mater. 5 042002) introduced the Computational 2D Materials Database (C2DB), which organises a variety of structural, thermodynamic, elastic, electronic, magnetic, and optical properties of around 1500 two-dimensional materials distributed over more than 30 different crystal structures. Unfortunately, the work contains serious and fundamental flaws in the field of elasticity and mechanical stability tests that make it unreliable.

Subfields: Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/6e1b1b78c66b8ea34abafc3da398543c11617617

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In Materials Chemistry

1. Vei Wang
2. Gang Tang
3. Wen-Tong Geng
4. N. Xu
5. Jin Cheng Liu

Citations in the corpus

• VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code (2019, background): “Then the relation between strain and stress can be written in the following form [40, 50]  σ1 σ2 σ6  =  C11 C12 C16 C21 C22 C26 C61 C62 C66  ·  ε1 ε2 ε6  , (17)”