MP20 (Metastable crystal structures from Materials Project)
Introduced by Xie et al. in Crystal Diffusion Variational Autoencoder for Periodic Material Generation
MP20 (Xie et al., 2022) contains 45,231 metastable crystal structures from the Materials Project (Jain et al., 2013), each with up to 20 atoms and spanning 89 different element types.
Benchmarks
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MP20
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ADiT
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Papers
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