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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-108064
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Ti', 'Se']
  • Chemical System: Se-Ti
  • Density: 5.277937174445261
  • Atomic Density: 0.057124978047241114
  • Unit Cell Volume: 70.02190874702984
  • Molar Volume: 10.542044768962223
  • Full Formula: Ti3 Se1
  • Reduced Formula: Ti3Se
  • Formula Anonymous: AB3
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2