"First AI model trained: MAE = 0.489 eV

Materials Project
1

Found 339 materials similar to Si.
Key insight: Model struggles with insulators (SiO₂ error: 3.27 eV).
Question: How do I incorporate crystal structure without having the actual structures?"

2

Hi @Shobhit_Thakur, I’m not sure if this question is intended for the Materials Project specifically or another subforum, but you can see how to retrieve crystal structures in the SiO2 chemical system from the examples in our documentation