Research / 2020 / Article / Fig 1

Research Article

Machine Learning Chemical Guidelines for Engineering Electronic Structures in Half-Heusler Thermoelectric Materials

Figure 1

There are three crystallographic sites in the half-Heusler structure: (blue), (red), and (green). The -site is in a body-centered-cubic coordination environment formed by the - and -sites. The - and -sites are in tetrahedral coordination environments formed by the -sites (in the first nearest-neighbor shell) and octahedral coordination environments formed by - and -sites (in the second nearest-neighbor shell).