Single unit cell PBE+vdW DFT calculations of methylammonium lead and tin triiodide, methylammonium lead cloride and cesium lead triiodide

Tietoaineisto

Description

This is a dataset published in Nomad. Dataset is related to the article: Atomic structure of metal-halide perovskites from first principles: The chicken-and-egg paradox of the organic-inorganic interaction Jingrui Li and Patrick Rinke
Phys. Rev. B 94, 045201 – Published 1 July 2016, DOI:https://doi.org/10.1103/PhysRevB.94.045201.
Koska saatavilla2016

Dataset Licences

  • CC-BY-4.0

Siteeraa tätä