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:

Other links:

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


van der Waals Bilayer Database (BiDB) [browse]


Chemisorption of gas atoms on one-dimensional transition-metal halides [browse]


Impurities in 2D Materials Database [browse]


Quantum Point Defects Database (QPOD) [browse]


A systematic computational database for one-dimensional materials [browse]


Computational 2D Materials Database (C2DB) [browse]


Database of ABSe3 materials [browse]


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


Bondmin optimization algorithm


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


Database of A2BCX4 materials [browse]


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


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


Database of ABS3 materials [browse]


Benchmark adsorption and surface energies with RPA [browse]


Database of Organic donor-acceptor molecules [browse]


Database of ABX2 materials [browse]


Monolayer transition metal dichalcogenides and -oxides


Van der Waals heterostructures


Organometal Halide Perovskites [browse]


Porphyrin based dyes [browse]


New Light Harvesting Materials [browse]


Perovskite water-splitting [browse]


Low symmetry perovskites [browse]


Absorption spectra of perovskites [browse]


Functional Perovskites [browse]


Bayesian error estimation functionals


CatApp database [browse]


Data for reproducing HTGW Paper


One and two component references from OQMD [browse]

All projects

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