Materials informatics platform with three dimensional structures, workflow and thermoelectric applications

Measurement(s) structural entity • relaxed crystal structure • density of states • band structure • electrical transport property • equation of states Technology Type(s) density functional theory • computational modeling technique Factor Type(s) material Machine-accessible metadata file describing t...

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Autores principales: Mingjia Yao, Yuxiang Wang, Xin Li, Ye Sheng, Haiyang Huo, Lili Xi, Jiong Yang, Wenqing Zhang
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/0ce1986367244417b7bfad1129ff98fa
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Sumario:Measurement(s) structural entity • relaxed crystal structure • density of states • band structure • electrical transport property • equation of states Technology Type(s) density functional theory • computational modeling technique Factor Type(s) material Machine-accessible metadata file describing the reported data: https://doi.org/10.6084/m9.figshare.15164577