As the author shows, we can use a dataset of small structures to predict large-scale material systems. But I felt confused about the "appropriate dataset of small structures".
How many small structures in the dataset?
The author gave us a Bi36 dataset to predict Bi244, why do you use Bi36, instead of Bi16, Bi4?
What does "have close chemical bonding environment" mean, the same spacegroup?
As the author shows, we can use a dataset of small structures to predict large-scale material systems. But I felt confused about the "appropriate dataset of small structures".