Dataset on density functional theory investigation of ternary Heusler alloys.

This paper contains data and results from Density Functional Theory (DFT) investigation of 423 distinct X2YZ ternary full Heusler alloys, where X and Y represent elements from the D-block of the periodic table and Z signifies element from main group. The study encompasses both "regular" and "inverse" Heusler phases of these alloys for a total of 846 potential materials. For each specific alloy and each phase, a range of information is provided including total energy, formation energy, lattice constant, total and site-specific magnetic moments, spin polarization as well as total and projected density of electronic states. The aim of creating this dataset is to provide fundamental theoretical insights into ternary X2YZ Heusler alloys for further theoretical and experimental analysis.

Homeotic transformations suggest mechanisms for rapid evolution diversification in Drosophila sex combs.

Evolutionary innovations refer to the emergence of new traits, functions, or behaviors in organisms and lineages over time. Although research has demonstrated that such innovations can arise gradually or through small steps (Chouard 2010), the mechanisms by which rapid morphological diversification takes place remain poorly understood (Bailey et al. 2019). To explore this question, we used the evolution of sex combs, as a system (Ho et al. 2018). We used this male-specific row of leg bristles, comprising sex combs as a system, because it displays spectacular morphological diversification in a short time (Kopp 2011). Homeotic mutations in the fruit fly, Drosophila melanogaster, are those which create modifications in one part of a fly to resemble another region. Here we describe effects of some of these mutations which transform the D. melanogaster fly sex comb morphology to closely resemble sex comb morphology in other species. These findings support previous research indicating that minor alterations to regulatory elements can play a significant role in explaining morphological evolution (Atallah et al. 2004). Thus, our results suggest that rapid diversification may not require starting from scratch, but rather may require minor modifications to the sex comb ground plan, which may account for its rapid morphological evolution (Lee et al. 2011).