WEKO3
Item
CrystalPrototypeDesigner
https://aist.repo.nii.ac.jp/records/2003344
https://aist.repo.nii.ac.jp/records/2003344bef7274d-8216-4da0-982d-12abb212bb11
| Name / File | License | Actions |
|---|---|---|
StructurePrototypeDesigner.zip (294 KB)
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.png)
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| Item type | Research Data (v9)(1) | |||||||
|---|---|---|---|---|---|---|---|---|
| PubDate | 2025-03-14 | |||||||
| Data name | ||||||||
| Title | CrystalPrototypeDesigner | |||||||
| Language | en | |||||||
| Description of data | ||||||||
| Description Type | Abstract | |||||||
| Description | Open source package for exploring crystal structures. The package includes the source files, Makefile, and the manual. This software generate crystal structure prototypes from chemical composition by exhaustively searching the huge coordination space. This algorithm is based on the mathematical programming model that formalizes the empirical rules of inorganic structural chemistry. | |||||||
| Language | en | |||||||
| Author (Creator) name |
小正路, 崚太郎
× 小正路, 崚太郎
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| Terms of Use | ||||||||
| Language | en | |||||||
| Rights Resource | https://creativecommons.org/licenses/by/4.0/deed.en | |||||||
| Rights | Creative Commons Attribution 4.0 International | |||||||
| Keyword | ||||||||
| Language | ja | |||||||
| Subject Scheme | Other | |||||||
| Subject | 数理結晶化学 | |||||||
| Keyword | ||||||||
| Language | ja | |||||||
| Subject Scheme | Other | |||||||
| Subject | 数理計画問題 | |||||||
| Keyword | ||||||||
| Language | ja | |||||||
| Subject Scheme | Other | |||||||
| Subject | 結晶構造 | |||||||
| Keyword | ||||||||
| Language | en | |||||||
| Subject Scheme | Other | |||||||
| Subject | mathematical crystal chemistry | |||||||
| Keyword | ||||||||
| Language | en | |||||||
| Subject Scheme | Other | |||||||
| Subject | mathematical programming | |||||||
| Keyword | ||||||||
| Language | en | |||||||
| Subject Scheme | Other | |||||||
| Subject | crystal structure | |||||||
| Date | ||||||||
| Date | 2025 | |||||||
| Date Type | Issued | |||||||
| Language | ||||||||
| Language | eng | |||||||
| Resource Type | ||||||||
| Resource Type Identifier | http://purl.org/coar/resource_type/c_ddb1 | |||||||
| Resource Type | dataset | |||||||
| Identifier | ||||||||
| Identifier | https://doi.org/10.57765/2003344 | |||||||
| Identifier Type | DOI | |||||||
| Relation | ||||||||
| Language | en | |||||||
| Related Title | R. Koshoji, A model of ionic crystals, in preparation | |||||||
