CMR

Each CMR project in the table below consists of an ASE-database and a project page describing the data and showing examples of how to work with the data using Python and ASE. Browse the databases by clicking the [browse] links below or download the databases and explore them using ASE tools:

All CMR databases are licensed under a Creative Commons Attribution-ShareAlike 4.0 International License Creative Commons License


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Computational 2D Materials Database (C2DB) [browse]

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Database of ABSe3 materials [browse]

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One, two and three component references from OQMD [browse]

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Bondmin optimization algorithm

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Definition of a scoring parameter to identify low-dimensional materials components [browse]

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Database of A2BCX4 materials [browse]

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Ground state orderings in icosahedral Ag-Au nanoparticles [browse]

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Screening for PV and PEC materials using the OQMD database [browse]

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Database of ABS3 materials [browse]

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Benchmark adsorption and surface energies with RPA [browse]

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Database of Organic donor-acceptor molecules [browse]

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Database of ABX2 materials [browse]

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Monolayer transition metal dichalcogenides and -oxides

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Van der Waals heterostructures

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Organometal Halide Perovskites [browse]

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Porphyrin based dyes [browse]

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New Light Harvesting Materials [browse]

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Perovskite water-splitting [browse]

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Low symmetry perovskites [browse]

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Absorption spectra of perovskites [browse]

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Functional Perovskites [browse]

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Bayesian error estimation functionals

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CatApp database [browse]

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Data for reproducing HTGW Paper

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One and two component references from OQMD [browse]

All projects

Older databases

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