Hetero


First app

This app predicts 2D heterostructure type and related data from the pre-computed JARVIS-DFT database for 2D materials.

Select a film and a substrate options (with chemical formula, space-group and JARVIS-ID information) from the dropdown menu and click 'Submit' button.





Second app

This app is designed to make a heterostructure given two surface/2D materials. Enter film and substrate structures below and hit 'Send'.






Reference: Efficient Computational Design of 2D van der Waals Heterostructures: Band-Alignment, Lattice-Mismatch, Web-app Generation and Machine-learning

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