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Co-authored-by: Antanas Vaitkus <[email protected]>
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ml-evs and vaitkus authored Apr 8, 2024
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## v1.2.0 (April 2024)


This release adds significant but optional new functionality to the specification, as well as providing several clarifications to existing behaviour.
This release adds significant but optional new functionality to the specification; it also provides several clarifications to existing behaviour.

Minor OPTIMADE releases are always intended to be backwards-compatible for clients, meaning that any client code written for v1.1 should continue to work.
Although the majority of features added in this release are optional for servers, there are a couple of mandatory format additions that are discussed below in the notes for implementations.
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- **Per entry/property metadata** ([#463](https://github.com/Materials-Consortia/OPTIMADE/pull/463)): Added a mechanism for providing metadata specific to a given entry or property.
- **Files endpoint** ([#360](https://github.com/Materials-Consortia/OPTIMADE/pull/360)): The [`files` entry type](https://github.com/Materials-Consortia/OPTIMADE/blob/v1.2.0/optimade.rst#files-entries) has been added to provide a robust way of linking entries to arbitrary file-based data relevant to the entry, such as alternative crystal structure representation formats, input or output files from computational procedures, or experimental data files.
- **Symmetry operation specification and space group fields** ([#480](https://github.com/Materials-Consortia/OPTIMADE/pull/480), [#405](https://github.com/Materials-Consortia/OPTIMADE/pull/405), [#464](https://github.com/Materials-Consortia/OPTIMADE/pull/464)): Several fields have been added to the `structures` entry type to fully describe symmetry. Symmetry operations can be provided explicitly in `space_group_symmetry_operations_xyz`, as well as space group specifications in various forms: `space_group_symbol_hall`, `space_group_symbol_hermann_mauguin`, `space_group_symbol_hermann_mauguin_extended`, `space_group_it_number`.
- **Database licenses** ([#414](https://github.com/Materials-Consortia/OPTIMADE/pull/414),[#497](https://github.com/Materials-Consortia/OPTIMADE/pull/497)): Several fields have been added to programmatically describe the licensing status of data served by OPTIMADE APIs. A database-wide license can be provided as a set of [SPDX identifiers](https://spdx.org/licenses/) in `available_licenses`, with a related field `available_licenses_for_entries` specifying specifically which licenses apply to individual entries and other non-substantial extracts from the database for cases where these differs from the database-wide licenses. The global field `license` can be used point to a human-readable license page (external or otherwise) that explains any caveats to the licensing arrangement.
- **Database licenses** ([#414](https://github.com/Materials-Consortia/OPTIMADE/pull/414),[#497](https://github.com/Materials-Consortia/OPTIMADE/pull/497)): Several fields have been added to programmatically describe the licensing status of data served by OPTIMADE APIs. A database-wide license can be provided as a set of [SPDX identifiers](https://spdx.org/licenses/) in `available_licenses`, with a related field `available_licenses_for_entries` specifying specifically which licenses apply to individual entries and other non-substantial extracts from the database for cases where these differ from the database-wide licenses. The global field `license` can be used point to a human-readable license page (external or otherwise) that explains any caveats to the licensing arrangement.
- **Database metadata field** ([#424](https://github.com/Materials-Consortia/OPTIMADE/pull/424)): Added an additional metadata field `database` for providing a human-readable description of a given database.
- **Backoff time** ([#411](https://github.com/Materials-Consortia/OPTIMADE/pull/411)): Databases can now request ahead of time that clients apply a particular rate limit or back-off time via the `request_delay` metadata field.

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