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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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DOE OSTI2019

Materials Data on Mo(Se2N)2 by Materials Project

MoSe4N2 is Iron carbide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules and four MoSe4 clusters. In each MoSe4 cluster, Mo6+ is bonded in a tetrahedral geometry to four Se2- atoms. All Mo–Se bond lengths are 2.31 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a single-bond geometry to one Mo6+ atom. In the second Se2- site, Se2- is bonded in a single-bond geometry to one Mo6+ atom. In the third Se2- site, Se2- is bonded in a single-bond geometry to one Mo6+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Materials Data on MoSeN by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗