Crystal Structure Modelling of Magnetic Material On Computational Study
- https://doi.org/10.2991/aer.k.211222.022How to use a DOI?
- Crystal Structure; Magnetic; Modelling; Pymatgen
Computational research has been developed recently. One of the research is in the study of material physics. The computational study uses to make a model of the crystal structure which is difficult to do experimentally. In this study, the pymatgen module was used to compute the crystal structure of magnetic materials such as Fe3O4, MnFe2O4 and NiCo2O4. Through the structural submodule, information can be obtained from the input data shift and its primitive structure. The structure of the three magnetic materials is cubic spinal which is following the experimental data. The suitability of computational data and experimental data shows the pymatgen module can work optimally in performing computational modeling of materials.
- © 2021 The Authors. Published by Atlantis Press International B.V.
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Cite this article
TY - CONF AU - Aprilia Dewi Ardiyanti AU - Tanzilal Mustaqim PY - 2021 DA - 2021/12/23 TI - Crystal Structure Modelling of Magnetic Material On Computational Study BT - Proceedings of the International Conference on Science and Engineering (ICSE-UIN-SUKA 2021) PB - Atlantis Press SP - 138 EP - 142 SN - 2352-5401 UR - https://doi.org/10.2991/aer.k.211222.022 DO - https://doi.org/10.2991/aer.k.211222.022 ID - Ardiyanti2021 ER -