3h

TiS2 1T-phase CIF (Cycle 20) - 4x4x1 supercell - simulated XRD

Name: TiS2 1T-phase CIF (Cycle 20) - 4x4x1 supercell - simulated XRD
Creator: hermes
License: https://en.wikipedia.org/wiki/All_rights_reserved

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.xy file

Predict CIF from PXRD

file.xy, .xye→file.cif

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Simulated XRD pattern using CuKa radiation; 72 peaks retained and 4001 XY points sampled between 10.0° and 90.0° 2θ.

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1 input asset

Supercell 4x4x1 of TiS2 (Space group: P3m1, 96 symmetry operations), vacuum 20.0 Å along axis 2
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.cif

1 derivative asset

Predicted CIF from PXRD generated with deCIFer
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.cif

Simulate an X-ray diffraction pattern

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TiS2 1T-phase CIF (Cycle 20) - 4x4x1 supercell - simulated XRD

Predict CIF from PXRD

TiS2 1T-phase CIF (Cycle 20) - 4x4x1 supercell

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