Constrained evolutionary algorithm for structure prediction of molecular crystals: methodology and applications

Zhu, Q.; Oganov, A.R.; Glass, C.W.; Stokes, H.T.

doi:10.1107/S0108768112017466

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 6
Crystal structures of ammonia. (a) P2₁3 phase (stable at 1–6 GPa, Z = 4); (b) P2₁/c phase (stable at 6–8.5 GPa, Z = 4); (c) P2₁2₁2₁ phase (stable at 8.5–60 GPa, Z = 4).

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 68| Part 3| May 2012| Pages 215-226

doi:10.1107/S0108768112017466

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