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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-111335
  • 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: 7
  • Number of elements: 2
  • Element list: ['Ti', 'S']
  • Chemical System: S-Ti
  • Density: 3.7369173332975825
  • Atomic Density: 0.057944940753418855
  • Unit Cell Volume: 120.80433440752094
  • Molar Volume: 10.392867231717176
  • Full Formula: Ti3 S4
  • Reduced Formula: Ti3S4
  • Formula Anonymous: A3B4
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1