Welcome to the temporary open-access interface of the MPDD allowing access to a subset of it that covers
around 4,500,000 of DFT-relaxed atomic structures and can be searched by 5 common fields. Please note:
The full native API covers many more fields and gives access to more data, but it is for now restricted to
collaborators. Beginning in late 2023, we made an OPTIMADE endpoint available to the public, where users can query and access
the majority of the MPDD data by following the link below:
If you are interested in collaborating with us and gain full read access, please contact us:
Request API Access
The presented results are sorted by ML-predicted formation energy in increasing order (most stable first).
Single ML model is used, so values are self-consistent, despite coming from different ab-initio and experimental sources.
The currently used model is extraploation-optimized SIPFENN_Krajewski2022_NN30. To learn more and run it yourself, please see
SIPFENN Article (2020):
pySIPFENN Article (2024):
pySIPFENN software documentation:
If there is a specific functionality you are interested in but you don't feel like you need to use full API access
please let Adam Krajewski
(ak@psu.edu) know and we will do our best to accomodate you. Providing useful tools to the community is our passion.
Please input a search in the query fields below. If a field is left blank, it is not used to restrict the output.
