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



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:
Koska saatavilla2016

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