Database updates

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Revision as of 17:27, 1 November 2018 by Dwinston (talk | contribs) (Version 2018.11, Release Date: 2018-11-01)

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This page documents all changes made to the database or calculation methodology. Calculated results from different database versions may differ.

Note: our database is incrementally built nightly.

Current Database versions

Version 2018.11, Release Date: 2018-11-01

We've released a new revision of the Materials Project database as part of major overhaul of our software infrastructure to enable us to continue to build new properties and deliver them to you, the material science community, at an accelerating pace. This has also caused some growing pains as we fix bugs we created in building our new infrastructure from scratch.

Many of our users have reported bugs and we are very grateful for that. We're making great strides in being as transparent as possible so everyone knows what is changing. As part of this we've settled on a monthly release schedule including an announcement that informs everyone on what has or has not changed. To kick this process off we have our current changes for the MP Database Release V2018.11. This will be updated on a monthly basis with what has changed.


  • Changed the grouping of magnetic materials to aggregate all magnetic orderings of a given material into a single material-id, and report the lowest energy ordering
  • Fixed incorrect calculation and display of polycrystalline dielectric constants
  • Fixed labeling of all materials as high-pressure. Note we're parsing ICSD tags for this labeling so while some materials may not conventionally be considerd high-pressure, a single matching ICSD entry can tag a material as such. We would love to hear comments on how we could better tag high-pressure materials
  • 5,849 new material ids.
  • 3,556 retiring/re-aggregated material ids

Version 2.0.0, Release Date: 04/13/2016

  • Equivalent to old version "2014.04.18"
  • Use major.minor.patch versioning, inspired by semantic versioning, but for data. Arbitrarily choose "2" as the initial major version.
  • When new data is added (typically nightly), db version remains the same
  • When new kinds of data are added, bump the patch (x.y.Z) version
  • When data organization (schema) changes, bump the minor (x.Y.z) version
  • When calculation methodology changes, bump the major (X.y.z) version

Old databases

Data from the earlier 'Materials Genome' web site, served prior to 10/10/2011, is no longer supported.

Version 2014.04.18, Release Date: 04/18/2014

  • Version unchanged until 04/13/2016. Renamed to "2.0.0" for semantic versioning.

Version 0.5.1, Release Date: 10/10/2011

  • Initial Materials Project Database

Version 1.1, Release Date: 3/25/2011

  • Removed fitted adjustments to P,S,C,Br,H2 by default in the calculations.

Version 1.0, Release Date: 2/28/2011

  • Root database (MIT database with ICSD only entries)