High-pressure phase detection manual

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So far, all computations in the materials project database have been ran assuming 0 pressure. However, sometimes experimental data refers to high-pressure phases. While the ICSD web site tags high-pressure phases, we could not technically retrieved this data. To detect high-pressure phase, we had instead to rely on an imperfect word detection in the journal title of the entry. Any entry with a journal title containing G[Pp]a, [kM]bar or [Pp]ressure will be considered as likely high-pressure phase and will be tagged with a warning accordingly.

Authors

  1. Geoffroy Hautier