Crystal Structure Modelling of Magnetic Material On Computational Study

DOI

10.2991/aer.k.211222.022How to use a DOI?

Keywords

Crystal Structure; Magnetic; Modelling; Pymatgen

Abstract

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.

Copyright

© 2021 The Authors. Published by Atlantis Press International B.V.

Open Access

This is an open access article under the CC BY-NC license.

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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  - 10.2991/aer.k.211222.022
ID  - Ardiyanti2021
ER  -