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Supporting dataset -A for "Crystallization of FAPbI3: polytypes and stacking faults"

<p>This dataset contains</p> <ol> <li>XYZ trajectories of 2H-polytype-3R phase phase transition for 1296 atoms and 1728 atom suspercell of FAPbI3</li> <li>Predicted polytypes and their mixtures from MD simulations, for example 12H polytype of FAPbI3</li> </ol>

ShareScore

36/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
4
Harmonization
4
Access
20
Reuse readiness
8
Engagement
0