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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-121799
  • 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: 14
  • Number of elements: 3
  • Element list: ['Ti', 'H', 'Au']
  • Chemical System: Au-H-Ti
  • Density: 7.715192206783807
  • Atomic Density: 0.09465714937644833
  • Unit Cell Volume: 147.90219325454717
  • Molar Volume: 6.362055903511469
  • Full Formula: Ti6 H6 Au2
  • Reduced Formula: Ti3H3Au
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 223
  • Spacegroup Symbol: Pm-3n
  • Crystal System: cubic
  • Pointgroup: m-3m