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Figure 1
Representation of the two model supercells used in the simulations, simplified by showing 1080 atoms only. (a) Disordered supercell. (b) Ordered supercell. A [121] projection vector (⊥ to [111]) was used in the view to highlight the stacking of the (111) planes, the upwards vector was [001]. Note that in the disordered structure all crystal planes ⊥ to [111] can contain both Nb and Sc atoms (that are randomly distributed), whereas in the ordered one these planes contain either Nb or Sc atoms, in strict alternation moving along [111].

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 32| Part 6| November 2025| Pages 1414-1420
https://doi.org/10.1107/S1600577525007428
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