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computational-chemistryresearch

materials-project

Query the Materials Project API v3 for crystal structures, band gaps, formation energies, and thermodynamic stability of 150k+ inorganic materials. Use when: (1) searching materials by chemical formula, (2) looking up material properties by MP ID, (3) filtering materials by band gap, energy, or density, (4) finding stable phases for a composition. NOT for: organic molecules (use pubchem-compound), proteins (use uniprot-protein), drug compounds (use chembl-drug).

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beita6969
更新于 3/12/2026
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quick start

Installation and usage

Query the Materials Project API v3 for crystal structures, band gaps, formation energies, and thermodynamic stability of 150k+ inorganic materials. Use when: (1) searching materials by chemical formula, (2) looking up material properties by MP ID, (3) filtering materials by band gap, energy, or density, (4) finding stable phases for a composition. NOT for: organic molecules (use pubchem-compound), proteins (use uniprot-protein), drug compounds (use chembl-drug).

安装
$ install --globalskills.sh
使用

安装后,您可以通过在终端运行以下命令来使用此技能:

skills use materials-project