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. 2017 Oct 30;7:14386. doi: 10.1038/s41598-017-14435-4

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© The Author(s) 2017

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Comparison between experimental and DFT-1/2 band gaps of AMX₃ perovskites. Note: when the room-temperature crystal structure is uncertain (CH₃NH₃PbI₃ and CSPbI₃), the band gaps of the high-temperature crystal structure, i.e. the cubic phase, are also plotted. When no experimental result is available (CH₃NH₃SnCl₃), the GW result is used. MA = CH₃NH_3; FA = CH₂NHCH₂.