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Min and max for abc lattice parameter lengths (abc_range)
Min and max for pairwise distances (distance_range)
Min and max for unit cell volume (volume)
i.e. take all Materials Project entries with less than or equal to 52 sites, and determine the minimum and maximum lattice parameter lengths across all a, b, and c values. Same for distances and volume.
The text was updated successfully, but these errors were encountered:
Let's figure this one out prior to doing a full run of Palette with all of Materials Project. Test runs for Palette using small datasets are fine in the meantime.
abc_range
)distance_range
)volume
)i.e. take all Materials Project entries with less than or equal to 52 sites, and determine the minimum and maximum lattice parameter lengths across all
a
,b
, andc
values. Same for distances and volume.The text was updated successfully, but these errors were encountered: