PENENTUAN ENERGI BEBAS GIBBS PEMBENTUKAN SENYAWA DARI DIAGRAM FASE BERBASIS PYTHON MATERIALS GENOMIC (PYMATGEN) DAN APPLICATION PROGRAMMING INTERFACE (API) KEY

Syamsul Andry, NIM. 17106020016 (2021) PENENTUAN ENERGI BEBAS GIBBS PEMBENTUKAN SENYAWA DARI DIAGRAM FASE BERBASIS PYTHON MATERIALS GENOMIC (PYMATGEN) DAN APPLICATION PROGRAMMING INTERFACE (API) KEY. Skripsi thesis, FAKULTAS SAINS DAN TEKNOLOGI.

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Abstract

The Gibbs free energy of the compound formation from a phase diagram based on Python Materials Genomic (Pymatgen) and Application Programming Interface (API) Key has been determined. The compounds shown are stable synthesized from the combination of Li-P and Li-Fe-O atoms. This stability is indicated by the value of the Gibbs free energy of the compounds formation obtained from the phase diagram of each atomic combination. The diagram is created from the integration between Python and the database from the Materials Project via an API Key using Pymatgen. From the research conducted for the combination of Li-P atoms, compounds and the Gibbs free energy of formation shown are Li3P (-0.697 eV/atom), LiP (-0.523 eV/atom), Li3P7 (-0.36 eV/atom), dan LiP7 (-0.159 eV/atom). Untuk kombinasi atom Li-Fe-O, senyawa dan Energi bebas Gibbs pembentukan yang ditampilkan adalah Li5FeO4 (- 2.117 eV/atom), LiFeO2 (-2.072 eV/atom), LiO2 (-2.067 eV/atom), Li2FeO2 (-1.979 eV/atom), Li2FeO3 (-1.965 eV/atom), Fe2O3 (-1.907 eV/atom), Fe3O4 (-1.858 eV/atom), FeO (-1.728 eV/atom), Li2O2 (-1.651 eV/atom), and LiO8 (-0.414 eV/atom). For the combination of Li-Fe-O atoms, the compound and the Gibbs free energy of formation shown are Li5FeO4 (- 2.117 eV/atom), LiFeO2 (-2.072 eV/atom), LiO2 (-2.067 eV/atom), Li2FeO2 (-1.979 eV/atom), Li2FeO3 (-1.965 eV/atom), Fe2O3 (-1.907 eV/atom), Fe3O4 (-1.858 eV/atom), FeO (-1.728 eV/atom), Li2O2 (-1.651 eV/atom), dan LiO8 (-0.414 eV/atom). Keywords: G

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