# The structure and composition statistics of 6A binary and ternary crystalline materials

## TL;DR

This paper analyzes the structural and compositional patterns of binary and ternary 6A column oxides, sulfides, and selenides, revealing preferred structures and gaps that can guide new material discovery.

## Contribution

It provides a comprehensive overview of structure types, symmetry, and stoichiometries in 6A binary and ternary compounds, highlighting patterns and research biases.

## Key findings

- Identification of prevalent structure types and stoichiometries
- Detection of gaps and missing compositions in the data
- Insights into chemical and research influences on structure distribution

## Abstract

The fundamental principles underlying the arrangement of elements into solid compounds with an enormous variety of crystal structures are still largely unknown. This study presents a general overview of the structure types appearing in an important subset of the solid compounds, i.e., binary and ternary compounds of the 6A column oxides, sulfides and selenides. It contains an analysis of these compounds, including the prevalence of various structure types, their symmetry properties, compositions, stoichiometries and unit cell sizes. It is found that these compound families include preferred stoichiometries and structure types that may reflect both their specific chemistry and research bias in the available empirical data. Identification of non-overlapping gaps and missing stoichiometries in these structure populations may be used as guidance in the search for new materials.