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C3V is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V4+ is bonded to twelve equivalent C+1.33- atoms to form a mixture of face and corner-sharing VC12 cuboctahedra. All V–C bond lengths are 2.22 Å. C+1.33- is bonded in a square co-planar geometry to four equivalent V4+ atoms.
C3V crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent V4+ sites. In the first V4+ site, V4+ is bonded in a 1-coordinate geometry to ten C+1.33- atoms. There are a spread of V–C bond distances ranging from 2.14–2.80 Å. In the second V4+ site, V4+ is bonded in a 7-coordinate geometry to seven C+1.33- atoms. There are a spread of V–C bond distances ranging from 1.98–2.28 Å. In the third V4+ site, V4+ is bonded in a 5-coordinate geometry to six C+1.33- atoms. There are a spread of V–C bond distances ranging from 2.00–2.75 Å. In the fourth V4+ site, V4+ is bonded in a 6-coordinate geometry to eight C+1.33- atoms. There are a spread of V–C bond distances ranging from 2.10–2.55 Å. In the fifth V4+ site, V4+ is bonded in a 8-coordinate geometry to eight C+1.33- atoms. There are a spread of V–C bond distances ranging from 1.96–2.48 Å. In the sixth V4+ site, V4+ is bonded in a 8-coordinate geometry to eight C+1.33- atoms. There are a spread of V–C bond distances ranging from 2.01–2.47 Å. In the seventh V4+ site, V4+ is bonded in a 6-coordinate geometry to seven C+1.33- atoms. There are a spread of V–C bond distances ranging from 1.95–2.63 Å. In the eighth V4+ site, V4+ is bonded in a 9-coordinate geometry to nine C+1.33- atoms. There are a spread of V–C bond distances ranging from 1.99–2.43 Å. There are twenty-four inequivalent C+1.33- sites. In the first C+1.33- site, C+1.33- is bonded in a 5-coordinate geometry to three V4+ and two C+1.33- atoms. There is one shorter (1.42 Å) and one longer (1.48 Å) C–C bond length. In the second C+1.33- site, C+1.33- is bonded in a 5-coordinate geometry to three V4+ and two C+1.33- atoms. There is one shorter (1.48 Å) and one longer (1.49 Å) C–C bond length. In the third C+1.33- site, C+1.33- is bonded in a 5-coordinate geometry to four V4+ and one C+1.33- atom. The C–C bond length is 1.44 Å. In the fourth C+1.33- site, C+1.33- is bonded in a 5-coordinate geometry to four V4+ and one C+1.33- atom. The C–C bond length is 1.41 Å. In the fifth C+1.33- site, C+1.33- is bonded in a 4-coordinate geometry to two V4+ and two C+1.33- atoms. There is one shorter (1.41 Å) and one longer (1.47 Å) C–C bond length. In the sixth C+1.33- site, C+1.33- is bonded in a 4-coordinate geometry to one V4+ and three C+1.33- atoms. There are a spread of C–C bond distances ranging from 1.42–1.47 Å. In the seventh C+1.33- site, C+1.33- is bonded in a 3-coordinate geometry to one V4+ and three C+1.33- atoms. Both C–C bond lengths are 1.46 Å. In the eighth C+1.33- site, C+1.33- is bonded in a 3-coordinate geometry to one V4+ and three C+1.33- atoms. There is one shorter (1.44 Å) and one longer (1.48 Å) C–C bond length. In the ninth C+1.33- site, C+1.33- is bonded in a 5-coordinate geometry to three V4+ and two C+1.33- atoms. The C–C bond length is 1.49 Å. In the tenth C+1.33- site, C+1.33- is bonded in a distorted pentagonal planar geometry to three V4+ and two C+1.33- atoms. In the eleventh C+1.33- site, C+1.33- is bonded in a 5-coordinate geometry to two V4+ and three C+1.33- atoms. There are a spread of C–C bond distances ranging from 1.44–1.57 Å. In the twelfth C+1.33- site, C+1.33- is bonded in a distorted trigonal pyramidal geometry to two V4+ and two C+1.33- atoms. The C–C bond length is 1.44 Å. In the thirteenth C+1.33- site, C+1.33- is bonded in a 7-coordinate geometry to five V4+ and two C+1.33- atoms. The C–C bond length is 1.50 Å. In the fourteenth C+1.33- site, C+1.33- is bonded in a 5-coordinate geometry to three V4+ and two C+1.33- atoms. The C–C bond length is 1.46 Å. In the fifteenth C+1.33- site, C+1.33- is bonded in a 5-coordinate geometry to three V4+ and two C+1.33- atoms. The C–C bond length is 1.46 Å. In the sixteenth C+1.33- site, C+1.33- is bonded in a 4-coordinate geometry to two V4+ and two C+1.33- atoms. The C–C bond length is 1.43 Å. In the seventeenth C+1.33- site, C+1.33- is bonded in a 6-coordinate geometry to four V4+ and two C+1.33- atoms. The C–C bond length is 1.43 Å. In the eighteenth C+1.33- site, C+1.33- is bonded in a 3-coordinate geometry to three V4+ and two C+1.33- atoms. In the nineteenth C+1.33- site, C+1.33- is bonded in a 5-coordinate geometry to two V4+ and three C+1.33- atoms. The C–C bond length is 1.52 Å. In the twentieth C+1.33- site, C+1.33- is bonded in a 5-coordinate geometry to three V4+ and two C+1.33- atoms. In the twenty-first C+1.33- site, C+1.33- is bonded in a 3-coordinate geometry to two V4+ and three C+1.33- atoms. In the twenty-second C+1.33- site, C+1.33- is bonded in a 4-coordinate geometry to one V4+ and three C+1.33- atoms. In the twenty-third C+1.33- site, C+1.33- is bonded in a 1-coordinate geometry to four V4+ and one C+1.33- atom. In the twenty-fourth C+1.33- site, C+1.33- is bonded in a 4-coordinate geometry to two V4+ and two C+1.33- atoms.
A traditional HPC computing facility provides a large amount of computing power but has a fixed environment designed to satisfy local needs. This makes it very challenging for users to deploy complex applications that span multiple sites and require specific application software, scheduling middleware, or sharing policies. This project addressed many of these challenges by making it possible for researchers to easily aggregate and share resources, install custom software environments, and deploy clustering frameworks across multiple HPC facilities through the concept of “virtual clusters”. We designed and implemented a prototype virtual cluster facility that enabled unprivileged users to create dynamic aggregations of computing power across multiple sites, deployed with custom middleware and complex software dependencies.
A traditional HPC computing facility provides a large amount of computing power but has a fixed environment designed to satisfy local needs. This makes it very challenging for users to deploy complex applications that span multiple sites and require specific application software, scheduling middleware, or sharing policies. This project addressed many of these challenges by making it possible for researchers to easily aggregate and share resources, install custom software environments, and deploy clustering frameworks across multiple HPC facilities through the concept of “virtual clusters”. We designed and implemented a prototype virtual cluster facility that enabled unprivileged users to create dynamic aggregations of computing power across multiple sites, deployed with custom middleware and complex software dependencies. This service is hosted at the University of Chicago and available through the site virtualclusters.org.