Development of a graphical user interface for visualizing solid-state crystal parameters from XRD data and the Cramer-Cohen algorithm for sustainable material management
Accurate characterization of crystalline materials is critical for advancing low-carbon energy systems, pollution remediation, and sustainable infrastructure—applications where structural precision directly impacts environmental and economic sustainability. This study introduces a Python-based GUI t...
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| Format: | Article |
| Language: | English |
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EDP Sciences
2025-01-01
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| Series: | BIO Web of Conferences |
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| Online Access: | https://www.bio-conferences.org/articles/bioconf/pdf/2025/26/bioconf_istakcos2024_05001.pdf |
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| author | Maulana Ardi Irzaman Wahjuni Sri Priandana Karlisa |
| author_facet | Maulana Ardi Irzaman Wahjuni Sri Priandana Karlisa |
| author_sort | Maulana Ardi |
| collection | DOAJ |
| description | Accurate characterization of crystalline materials is critical for advancing low-carbon energy systems, pollution remediation, and sustainable infrastructure—applications where structural precision directly impacts environmental and economic sustainability. This study introduces a Python-based GUI tool that streamlines lattice parameter calculations by integrating the Cramer-Cohen algorithm, which applies Bragg’s law and crystallographic geometry to transform complex analyses into an efficient workflow. The interface enables users to select five crystal systems (cubic, tetragonal, hexagonal, orthorhombic, monoclinic), input X-ray diffraction angles (2θ) and Miller indices (khl), and automatically compute lattice parameters. Three-dimensional visualizations enhance interpretability of results, while open-source accessibility ensures broad applicability. Validated against reference data, the tool achieves errors ranging from 0.03% to 2.88%. By bridging advanced material characterization with sustainable development goals, this GUI democratizes crystallographic analysis for interdisciplinary teams, empowering researchers in energy harvesting, catalysis, and eco-friendly material design. Its computational efficiency and user-centric design support transdisciplinary innovation, reinforcing the role of accessible tools in accelerating sustainable technologies. |
| format | Article |
| id | doaj-art-2a8e9445686f438c8cfb3b4cce2833d1 |
| institution | DOAJ |
| issn | 2117-4458 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | EDP Sciences |
| record_format | Article |
| series | BIO Web of Conferences |
| spelling | doaj-art-2a8e9445686f438c8cfb3b4cce2833d12025-08-20T03:08:51ZengEDP SciencesBIO Web of Conferences2117-44582025-01-011750500110.1051/bioconf/202517505001bioconf_istakcos2024_05001Development of a graphical user interface for visualizing solid-state crystal parameters from XRD data and the Cramer-Cohen algorithm for sustainable material managementMaulana Ardi0Irzaman1Wahjuni Sri2Priandana Karlisa3Computer Science Study Program, School of Data Science, Mathematics, and Informatics, IPB UniversityDepartment of Physics, Faculty of Mathematics and Natural Science, IPB UniversityComputer Science Study Program, School of Data Science, Mathematics, and Informatics, IPB UniversityComputer Science Study Program, School of Data Science, Mathematics, and Informatics, IPB UniversityAccurate characterization of crystalline materials is critical for advancing low-carbon energy systems, pollution remediation, and sustainable infrastructure—applications where structural precision directly impacts environmental and economic sustainability. This study introduces a Python-based GUI tool that streamlines lattice parameter calculations by integrating the Cramer-Cohen algorithm, which applies Bragg’s law and crystallographic geometry to transform complex analyses into an efficient workflow. The interface enables users to select five crystal systems (cubic, tetragonal, hexagonal, orthorhombic, monoclinic), input X-ray diffraction angles (2θ) and Miller indices (khl), and automatically compute lattice parameters. Three-dimensional visualizations enhance interpretability of results, while open-source accessibility ensures broad applicability. Validated against reference data, the tool achieves errors ranging from 0.03% to 2.88%. By bridging advanced material characterization with sustainable development goals, this GUI democratizes crystallographic analysis for interdisciplinary teams, empowering researchers in energy harvesting, catalysis, and eco-friendly material design. Its computational efficiency and user-centric design support transdisciplinary innovation, reinforcing the role of accessible tools in accelerating sustainable technologies.https://www.bio-conferences.org/articles/bioconf/pdf/2025/26/bioconf_istakcos2024_05001.pdfcrystal lattice parameterx-ray diffractioncramer-cohen algorithmgui |
| spellingShingle | Maulana Ardi Irzaman Wahjuni Sri Priandana Karlisa Development of a graphical user interface for visualizing solid-state crystal parameters from XRD data and the Cramer-Cohen algorithm for sustainable material management BIO Web of Conferences crystal lattice parameter x-ray diffraction cramer-cohen algorithm gui |
| title | Development of a graphical user interface for visualizing solid-state crystal parameters from XRD data and the Cramer-Cohen algorithm for sustainable material management |
| title_full | Development of a graphical user interface for visualizing solid-state crystal parameters from XRD data and the Cramer-Cohen algorithm for sustainable material management |
| title_fullStr | Development of a graphical user interface for visualizing solid-state crystal parameters from XRD data and the Cramer-Cohen algorithm for sustainable material management |
| title_full_unstemmed | Development of a graphical user interface for visualizing solid-state crystal parameters from XRD data and the Cramer-Cohen algorithm for sustainable material management |
| title_short | Development of a graphical user interface for visualizing solid-state crystal parameters from XRD data and the Cramer-Cohen algorithm for sustainable material management |
| title_sort | development of a graphical user interface for visualizing solid state crystal parameters from xrd data and the cramer cohen algorithm for sustainable material management |
| topic | crystal lattice parameter x-ray diffraction cramer-cohen algorithm gui |
| url | https://www.bio-conferences.org/articles/bioconf/pdf/2025/26/bioconf_istakcos2024_05001.pdf |
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