Highly accurate machine learning prediction of crystal point groups for ternary materials from chemical formula
Abstract One of the most challenging problems in condensed matter physics is to predict crystal structure just from the chemical formula of the material. In this work, we present a robust machine learning (ML) predictor for the crystal point group of ternary materials (A $$_l$$ l B $$_m$$ m C $$_n$$...
| Main Authors: | , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2022-01-01
|
| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-022-05642-9 |