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Figure 5
Log plots for the number of unique structures [{\bb U}] as a function of the number of polymorphs generated (M or N) from the respective EVCCP (a) or pseudo-random (b) search data. Bars are stacked as triplets for Z′ = 1, 2, 3 plotting [\log{\bb U}] versus log(N) with the ratio [{\bb U}[N]/N] as error bars. In addition, different markers on the right of each triplet stack compare the conditional probability P(X0, H0|S0) to generate a specific polymorph from EVCCP (a) with the P(X0, H0) from a pseudo-random search (b). The scale for [\log{\bb U}] is on the left of each plot with the scale for probabilities on the right.

Journal logo STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 80| Part 6| December 2024| Pages 575-594
https://doi.org/10.1107/S205252062400132X
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