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Wish List - Tool "crystal_viewer": Wish #79

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Wondwosen Tilahun Metaferia

Arbitrary crystal structure

I wish I could see arrbitrary crystal planes, like Si(557)…

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  1. Abhijeet Paul

    Hello thanks for your request and we are planning to put something like this. The only caveat id that in some cases some of the planes may not contain any atom in a given crystal and it may look weird.

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  2. Evan J. Dawley

    There would have to be semi-arbitrary nature to the crystal viewer (i.e. a limit should be placed on the size of the crystal needed to view a defined plane). In other words, something like Si (557) would have intercepts of 7,7, and 5 and on the x, y, and z axes respectively. So, to view a plane in one quadrant just as all the text book images portray, the computation needed involves a lot of atoms (say, 7×7×5 = 245 unit cells with each cell having 14 indices for the atoms or 8 atoms per cell considering the sharing of atoms between unit cells). I think larger, computation costly images can be pre-processed and viewed as still images but can’t be rotated in real-time.

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