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


_images/bidb.png

Bilayer Database [browse]

_images/ads1d.png

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

_images/imp2d.png

Impurities in 2D Materials Database [browse]

_images/qpod.png

Quantum Point Defects in 2D Materials (QPOD) Database [browse]

_images/c1db.png

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

_images/c2db.png

Computational 2D Materials Database (C2DB) [browse] [test]

_images/abse3.png

Database of ABSe3 materials [browse]

_images/oqmd123.png

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

_images/bondmin1.png

Bondmin optimization algorithm

_images/lowdim.png

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

_images/a2bcx4.png

Database of A2BCX4 materials [browse]

_images/agau309.png

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

_images/pv_pec_oqmd.png

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

_images/abs3.png

Database of ABS3 materials [browse]

_images/adsorption.png

Benchmark adsorption and surface energies with RPA [browse]

_images/solar.png

Database of Organic donor-acceptor molecules [browse]

_images/abx2.png

Database of ABX2 materials [browse]

_images/c2dm.png

Monolayer transition metal dichalcogenides and -oxides

_images/vdwh.png

Van der Waals heterostructures

_images/organometal.png

Organometal Halide Perovskites [browse]

_images/dssc.png

Porphyrin based dyes [browse]

_images/mp_gllbsc.png

New Light Harvesting Materials [browse]

_images/cubic_perovskites.png

Perovskite water-splitting [browse]

_images/low_symmetry_perovskites.png

Low symmetry perovskites [browse]

_images/absorption_perovskites.png

Absorption spectra of perovskites [browse]

_images/funct_perovskites.png

Functional Perovskites [browse]

_images/beef.png

Bayesian error estimation functionals

_images/catapp.png

CatApp database [browse]

_images/htgw.png

Data for reproducing HTGW Paper

_images/oqmd12.png

One and two component references from OQMD [browse]

All projects

About this web-page

Older databases