Shaped Diffraction Patterns
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The Shaped Diffraction Patterns (Shaped DP) dataset is a collection of diffraction patterns for 116,910 materials sampled from 116 space groups. These 116 space groups (out of a total of 230) were selected based on the criterion that each group should be represented by at least 100 materials in the Materials Project (MP) library. The selected space groups include 2 <em>triclinic</em>, 13 <em>monoclinic</em>, 34 <em>orthorhombic</em>, 25 <em>tetragonal</em>, 17 <em>trigonal</em>, 10 <em>hexagonal</em>, and 15 <em>cubic</em> crystal systems. Please refer to our article as follows: Leslie Ching Ow Tiong, Jeongrae Kim, Sang Soo Han and Donghun Kim, "Identification of crystal symmetry from noisy diffraction patterns by a shape analysis and deep learning," <em>npj Computational Materials</em>, 6:196, 2020. (See link).
