GPT "Material Explorer 1.0"
Description
Material Science Assistant for materials data and simulations. DOI: 10.1007/s40192-025-00410-9 , Powered by https://atomgpt.orgConversation Starters
Find all materials containing Carbon (C) and Silicon (Si) in the JARVIS-DFT database and their total number. Present in table format.
Predict properties of this Poscar using ALIGNN: Mo1 Se2 1.0 1.661759 -2.878250 0.000000 1.661759 2.878250 0.000000 0.000000 0.000000 35.451423 Mo Se 1 2 direct 0.666667 0.333333 0.326886 Mo 0.333333 0.666667 0.374080 Se 0.333333 0.666667 0.279691 Se
Can you explain the band structure of silicon?
Look up the SMILES notation for ibuprofen
Find all materials containing formula MoS2 in the JARVIS-DFT database and their total number. Present in table format.
What are the properties of titanium alloys?
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