Graphs of MP 2019

Created: Jun 6, 2019 133k structures Open MIT
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Description

Contains 133,420 graph-target pairs for Materials Project structures which were used to train the MEGNet formation energy model.

Methodology

  • Method: "DFT"
  • Code: "VASP"
  • Functional: "PBE+U"
  • Pseudopotentials: "PBE"

Authors

  1. Materials Project Team
  2. Chi Chen (UC San Diego)

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