Proceedings of the International Conference on Science and Engineering (ICSE-UIN-SUKA 2021)

Crystal Structure Modelling of Magnetic Material On Computational Study

Authors
Aprilia Dewi Ardiyanti1, *, Tanzilal Mustaqim2
1Department of Physic, Universitas Negeri Malang, Malang, Indonesia
2Department of Informatic, Institut Teknologi Sepuluh Nopember, Surabaya, Indonesia
*Corresponding author. Email: apriliadewi379@gmail.com
Corresponding Author
Aprilia Dewi Ardiyanti
Available Online 23 December 2021.
DOI
https://doi.org/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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Volume Title
Proceedings of the International Conference on Science and Engineering (ICSE-UIN-SUKA 2021)
Series
Advances in Engineering Research
Publication Date
23 December 2021
ISBN
978-94-6239-494-0
ISSN
2352-5401
DOI
https://doi.org/10.2991/aer.k.211222.022How to use a DOI?
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.

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  -