{"@context":"https://schema.org","@type":"Dataset","@id":"https://datagraph.stage.matportal.org/id/dataset/jarvis-dft-3d","name":"JARVIS-DFT 3D Dataset","description":"High-throughput Density Functional Theory (DFT) property database for 3D materials calculated using the OptB88vDW functional. Contains electronic, elastic, vibrational, and piezoelectric properties for over 75,000 structures.","license":"CC BY 4.0","keywords":["DFT","3D materials","elastic properties","bandgap","piezoelectric","phonon","NIST"],"creator":"admin","publisher":"NIST JARVIS","accountablePerson":"admin","version":"12-12-2022","url":"https://stage.matportal.org/datasets/jarvis-dft-3d","distribution":[{"@type":"DataDownload","name":"JARVIS-DFT 3D JSON Data","encodingFormat":"JSON","contentUrl":"https://figshare.com/ndownloader/files/38521619"}]}