Difference between revisions of "Database updates"

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(Version 2018.11, Release Date: 2018-11-01)
(Current Database versions)
 
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=Current Database versions=
 
=Current Database versions=
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Up-to-date release notes are now posted to [https://discuss.materialsproject.org/t/materials-project-database-release-log/1609 this thread] on our discussion forum.
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Confused about materials being "deprecated"? [https:///docs.materialsproject.org/user-guide/deprecations More info here].
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== V2019.05 ==
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* Introduced a new `deprecated` field to materials. By default the website and API only search for materials that are not deprecated: {"deprecated": false}.
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* Deprecated 15,000 and added 3,600 new materials. We will be recomputing the deprecated materials to fill these spaces back up. Some of these new relaxations may end up matching current materials, so the total number of materials is not guaranteed to be the same as in V2019.02.
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* Fixed an issue with sandboxes not properly building the whole hull. Previously, only the sandboxed chemical systems were being recalculated for energy_above_hull searches
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== V2019.02 ==
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* Added over 47,000 new materials from orderings of disordered ICSD as well as compounds from the Pauling File
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* Finalized enforcing symmetry on piezo tensors
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* Moved third order elastic data to elasticity_third_order so that people are not swamped by the mountain of information associated with it.
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== V2018.12 ==
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* Adjusted the mp-id naming scheme to fix "mvc" ids taking over old mp-ids.
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* Fixed piezoeletric max_direction to be a miller index rather than a unit vector.
  
 
== Version 2018.11, Release Date: 2018-11-01 ==
 
== Version 2018.11, Release Date: 2018-11-01 ==

Latest revision as of 21:28, 12 August 2019

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

Up-to-date release notes are now posted to this thread on our discussion forum.

Confused about materials being "deprecated"? More info here.

V2019.05

  • Introduced a new `deprecated` field to materials. By default the website and API only search for materials that are not deprecated: {"deprecated": false}.
  • Deprecated 15,000 and added 3,600 new materials. We will be recomputing the deprecated materials to fill these spaces back up. Some of these new relaxations may end up matching current materials, so the total number of materials is not guaranteed to be the same as in V2019.02.
  • Fixed an issue with sandboxes not properly building the whole hull. Previously, only the sandboxed chemical systems were being recalculated for energy_above_hull searches

V2019.02

  • Added over 47,000 new materials from orderings of disordered ICSD as well as compounds from the Pauling File
  • Finalized enforcing symmetry on piezo tensors
  • Moved third order elastic data to elasticity_third_order so that people are not swamped by the mountain of information associated with it.

V2018.12

  • Adjusted the mp-id naming scheme to fix "mvc" ids taking over old mp-ids.
  • Fixed piezoeletric max_direction to be a miller index rather than a unit vector.

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.

V2018.11

  • 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)