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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-116586
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Ti', 'As', 'Ru']
  • Chemical System: As-Ru-Ti
  • Density: 8.197771916988904
  • Atomic Density: 0.06615980322338672
  • Unit Cell Volume: 272.06852383196343
  • Molar Volume: 9.102416371563878
  • Full Formula: Ti6 As6 Ru6
  • Reduced Formula: TiAsRu
  • Formula Anonymous: ABC
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2