Predicting a symmetry-invariant reciprocal-lattice descriptor (the lattice bispectrum) from powder XRD and then inverting it recovers unit cell parameters more accurately than predicting parameters directly.
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Acta Crystallographica Section B: Structural Science
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Learning Lattice Parameters from Powder X-Ray Diffraction Data Using Invariants
Predicting a symmetry-invariant reciprocal-lattice descriptor (the lattice bispectrum) from powder XRD and then inverting it recovers unit cell parameters more accurately than predicting parameters directly.