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Materials Project
Materials Project
10:17 AM
Materials Project - Materials Science Community…: Getting Battery Dataset
posted on August 05, 2022 by Mbabala

I have been trying to get the battery data using the new API but I am failing anyone to assist with such??? 1 post - 1 participant Read full topic

 
 
13 hours later…
Materials Project
Materials Project
11:13 PM
Materials Project - Materials Science Community…: CrystalNNFingerprint: No Voronoi neighbors found for site - try increasing cutoff. Should I treat…
posted on August 05, 2022 by sgbaird

An example of a structure that fails (only on site 6): Structure Summary Lattice abc : 12.350696 14.104949458808422 14.527473876232783 angles : 63.92566223904422 79.2990282889014 65.62253736027132 volume : 2070.508763122277 A : 12.350696 0.0 0.0 B : 5.821764 12.847438 0.0 C : 2.697509 5.787997 13.048756 pbc : True True True PeriodicSite: Hg (5.8268, 12.…

 

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