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Renewable Energy Markets
Published in Anco S. Blazev, Global Energy Market Trends, 2021
Perovskite solar cells are made out of perovskite; a special calcium titanate mineral CaTiO3. Perovskie mineral is predominant in the Ural Mountains of Russia, and lends its name to the class of compounds which have the same type of crystal structure as CaTiO3. This unusual structure (XIIA2+VIB4+X2−3) is known as the ‘perovskite structure’.
Categorization of inorganic crystal structures by Delaunay tetrahedralization
Published in Science and Technology of Advanced Materials: Methods, 2022
Table S1 shows the 100 most frequent structure types together with occurrence ratios of H, B, C, N, O, F, and TMs. The most frequent structure type was Perovskite#CaTiO3 with 747 entries, while the least frequent was MnP#FeAs and PbCl2 with 60 entries each. Figs. S1-S2 show the hierarchical classification result. Structure types were classified into three broad (A-C) groups and nine refined (A1-C9) subgroups, and data in Table S1 is sorted by group. Table 1 shows a summary of these groups (the group of each structure type is also shown in Table S1). Group A, which has a high occurrence ratio of O and TM, branches off first. The remaining structures are then separated into groups B and C, which are distinguished mostly by the TM occurrence ratio. Groups A and B can each be split into two subgroups according to the O occurrence ratio. Boride- and fluoride-favoring cluster types (subgroups C5 and C6) split off first in group C, followed by structures with very high TM and low anion-forming element (H, B, C, N, O, and F) occurrences (subgroup C7). The remaining structure types are separated into two clusters (subgroups C8 and C9) based on the occurrence ratio of C, N, and O. The hierarchical classification of structure types well reflects the nature of bonding, for instance ionic and metallic, as anticipated from the type of constituent elements.