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Science and Technology of Advanced Materials Volume 19, 2018 - Issue 1
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A general representation scheme for crystalline solids based on Voronoi-tessellation real feature values and atomic property data

Randy JalemJapan Science and Technology Agency (JST), PRESTO, Saitama, Japan;National Institute for Materials Science – Global Research Center for Environment and Energy Based on Nanomaterials Science (NIMS – GREEN), Tsukuba, Japan;Center for Materials Research by Information Integration (CMI), Research and Services Division of Materials Data and Integrated System (MaDIS), National Institute for Materials Science – ‘Materials Research by Information Integration’ Initiative (NIMS – Mii), Tsukuba, JapanCorrespondence[email protected]
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Masanobu NakayamaNational Institute for Materials Science – Global Research Center for Environment and Energy Based on Nanomaterials Science (NIMS – GREEN), Tsukuba, Japan;Center for Materials Research by Information Integration (CMI), Research and Services Division of Materials Data and Integrated System (MaDIS), National Institute for Materials Science – ‘Materials Research by Information Integration’ Initiative (NIMS – Mii), Tsukuba, Japan;Frontier Research Institute for Materials Science, Nagoya Institute of Technology, Nagoya, Japan;Elements Strategy Initiative for Catalysts and Batteries, Kyoto University, Kyoto, Japan
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Yusuke NodaCenter for Materials Research by Information Integration (CMI), Research and Services Division of Materials Data and Integrated System (MaDIS), National Institute for Materials Science – ‘Materials Research by Information Integration’ Initiative (NIMS – Mii), Tsukuba, Japan
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Tam LeCenter for Materials Research by Information Integration (CMI), Research and Services Division of Materials Data and Integrated System (MaDIS), National Institute for Materials Science – ‘Materials Research by Information Integration’ Initiative (NIMS – Mii), Tsukuba, Japan
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Ichiro TakeuchiCenter for Materials Research by Information Integration (CMI), Research and Services Division of Materials Data and Integrated System (MaDIS), National Institute for Materials Science – ‘Materials Research by Information Integration’ Initiative (NIMS – Mii), Tsukuba, Japan;Department of Computer Science, Nagoya Institute of Technology, Nagoya, Japan;RIKEN Center for Advanced Intelligence Project, Tokyo, Japan
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Yoshitaka TateyamaNational Institute for Materials Science – Global Research Center for Environment and Energy Based on Nanomaterials Science (NIMS – GREEN), Tsukuba, Japan;Center for Materials Research by Information Integration (CMI), Research and Services Division of Materials Data and Integrated System (MaDIS), National Institute for Materials Science – ‘Materials Research by Information Integration’ Initiative (NIMS – Mii), Tsukuba, Japan;Elements Strategy Initiative for Catalysts and Batteries, Kyoto University, Kyoto, Japan
&
Hisatsugu YamazakiBattery Material Engineering & Research Division, Toyota Motor Corporation, Susono, Japan
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Pages 231-242 | Received 06 Nov 2017, Accepted 07 Feb 2018, Published online: 19 Mar 2018

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A general representation scheme for crystalline solids based on Voronoi-tessellation real feature values and atomic property data
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A general representation scheme for crystalline solids based on Voronoi-tessellation real feature values and atomic property data.
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