Large scale dataset of real space electronic charge density of cubic inorganic materials from density functional theory (DFT) calculations

Fancy Qian Wang; Kamal Choudhary; Yu Liu; Jianjun Hu; Ming Hu

doi:10.1038/s41597-022-01158-z

Scientific Data (Feb 2022)

Large scale dataset of real space electronic charge density of cubic inorganic materials from density functional theory (DFT) calculations

Fancy Qian Wang,
Kamal Choudhary,
Yu Liu,
Jianjun Hu,
Ming Hu

Affiliations

Fancy Qian Wang: State Key Laboratory of High-end Server & Storage Technology, Inspur Electronic Information Industry Co., Ltd
Kamal Choudhary: Materials Science and Engineering Division, National Institute of Standards and Technology
Yu Liu: State Key Laboratory of High-end Server & Storage Technology, Inspur Electronic Information Industry Co., Ltd
Jianjun Hu: Department of Computer Science and Engineering, University of South Carolina
Ming Hu: Department of Mechanical Engineering, University of South Carolina

DOI: https://doi.org/10.1038/s41597-022-01158-z
Journal volume & issue: Vol. 9, no. 1
pp. 1 – 9

Abstract

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Measurement(s) electronic charge density Technology Type(s) computational methods Factor Type(s) inorganic material Machine-accessible metadata file describing the reported data: https://doi.org/10.6084/m9.figshare.17694158

Published in Scientific Data

ISSN: 2052-4463 (Online)
Publisher: Nature Portfolio
Country of publisher: United Kingdom
LCC subjects: Science
Website: https://www.nature.com/sdata/

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