HybriD3

HybriD3 is a collaborative research initiative focused on the
Design, Discovery, and Dissemination (D³) of crystalline
organic–inorganic hybrid semiconductors. The project develops and curates a
community database of experimental and computational data on hybrid
perovskites and related compounds. By combining synthesis, characterization,
and first-principles simulations, HybriD3 accelerates the identification of new
functional semiconductors for optoelectronic applications such as
light-emitting diodes and quantum emitters. The platform provides open access
to curated materials data, fostering reproducibility and collaboration across
condensed matter physics, chemistry, and materials science communities. It is
built upon the MatD3 database infrastructure.

Information

Official site https://hybrid3.duke.edu/
Openness ☆☆☆
Manual https://hybrid3.readthedocs.io/
Download https://materials.hybrid3.duke.edu/materials/search
License


CC BY 4.0 Attribution 4.0 International

The data is available under the Creative Commons license with attribution
clause, described here  and, in its full text, here.

Specific terms regarding data usage are detailed on the website.

Core Developers

The HybriD3 database is developed primarily by the
Ab Initio Materials Simulations Group at
Duke University. It is a collaborative effort involving
researchers from multiple institutions, including
University of North Carolina at Chapel Hill and
North Carolina State University.

Key personnel and contributors include:

  • Volker Blum
    – Associate Professor in the Department of Mechanical Engineering and
    Materials Science at Duke University
  • David Mitzi
    – Simon Family Professor in the Department of Mechanical Engineering and
    Materials Science at Duke University
  • Yosuke Kanai
    – Associate Professor in the Department of Chemistry at University of North
    Carolina, Chapel Hill
  • Wei You
    – Professor of Chemistry and Applied Physical Sciences at University of
    North Carolina, Chapel Hill
  • Kenan Gundogdu
    – Associate Professor in the Department of Physics at North Carolina State
    University
  • Franky So
    – The Walter and Ida Freeman Distinguished Professor in the Department of
    Materials Science and Engineering at North Carolina State University

All contributors are listed at
https://hybrid3.duke.edu/people
and
https://materials.hybrid3.duke.edu/contributors/

Related Papers

The database infrastructure (MatD3) and its application to HybriD3 are
described in:


R. Laasner, X. Du, A. Tanikanti, C. Clayton, M. Govoni, G. Galli,
M. Ropo, and V. Blum,
Journal of Open Source Software, 5, 1945 (2020)