Compounds with low crystallinity present significant challenges due to their reduced structural order and high amorphous content, making structural analysis complex and time-consuming. While MicroED is a highly efficient technique, low-crystallinity samples with limited quantities may yield only unit cell parameters. To overcome this limitation, XtalPi integrates MicroED with targeted Crystal Structure Prediction (CSP), enabling the rapid and robust elucidation of crystal structures of low-crystallinity samples in just two weeks.
Key Results:
- MicroED efficiently determined the unit cell parameters of the low-crystallinity powder samples, significantly speeding up CSP calculations.
- Targeted CSP utilized the MicroED-derived cell parameters to elucidate the compound’s crystal structure, bypassing the need for single-crystal growth and mitigating the unpredictability of experimental methods.
Our solution delivered accurate structural insights that are often unattainable using traditional experimental approaches, offering a faster and more dependable pathway for solid state research.
