Public guides for MaterialsAtlas apps, structure and composition screening workflows, Open Resources, and Reading Room collections.
Open Resources collects community-maintained research assets with contributor acknowledgement, review status, and optional small file uploads. Materials science moves faster when useful resources are easy to find, cite, reuse, and improve. Open Resources is a
Reading Room Collections let users organize saved papers, research news, discoveries, and imported bibliography items around a topic, project, grant, class, or reading workflow. The former My Paper Topics tab is now Collections. The left panel shows My collect
StructMatcher is a CIF-based composition and structure app for structure hygiene, duplicate removal, known-library matching, novelty filtering, and structure-landscape visualization. The app uses pymatgen StructureMatcher. Matching can tolerate translations, r
Batch-relax uploaded CIF structures with MatterSim or a compiled NequIP model, then export relaxed CIFs and human-readable summary tables. This is a computing-intensive app and requires login. Free daily CIF limits are counted after archive expansion: unverifi
Filter uploaded CIF structures by ML-potential phonon dynamic-stability screening. This is a computing-intensive app and requires login. Free daily CIF limits are counted after archive expansion: unverified users can submit 3 CIFs per day, verified non-academi
Predict likely element oxidation states for formulas or CIF structures using BERTOS, pymatgen, oxi.matr.io PNAS, or TOSS. PNAS citation: Mueller, Tim, Joseph Montoya, Weike Ye, Xiangyun Lei, Linda Hung, Jens Hummelshøj, Michael Puzon, Daniel Martinez, Chris Fa
Filter out formulas or CIF structures that pass charge-neutrality screening. The default method is the Oxi.matr.io oxidation-state model. It predicts oxidation states with the electrochemical-series model and checks whether the weighted oxidation-state sum is
The Electronegativity Balance app filters formulas or CIF structures by combining an oxidation-state assignment with a Pauling electronegativity ordering check. The default method is the Oxi.matr.io oxidation-state model. It predicts a charge-balanced oxidatio
Run Pauling-style formula checks and tolerant CIF structure-risk screening for candidate inorganic materials. Formula mode applies the existing MToolbox charge/electronegativity plausibility screen. CIF modes parse structures with pymatgen, extract formulas, i
Rank formula or CIF candidates by composition-based or structure-aware synthesizability scoring. The Bagged models selector applies only to the Composition CGNF model. It is hidden in Structure CIF mode because structure ranking does not use the CGNF ensemble
App slug: doping-recommender Category: Utilities & Tools The Doping Recommender suggests likely n-type and p-type dopants for a host material. It can work from a chemical formula or a host CIF structure. When a CIF is available, the app can also generate doped
App slug: e-above-hull Category: Composition / Formula / Structure Check The Energy Above Hull Calculator estimates the thermodynamic stability of a material relative to the Materials Project convex hull. It can use a user-provided formation energy, a CIF plus
App slug: phase-diagram Category: Experimentalist Tools The Phase Diagram Generator builds a convex-hull phase diagram for a selected chemical system using Materials Project entries and pymatgen. It can also evaluate user-submitted candidate phases by insertin