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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-8399
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Ti', 'S']
  • Chemical System: S-Ti
  • Density: 2.500810634685715
  • Atomic Density: 0.040340992155290266
  • Unit Cell Volume: 148.73208811779728
  • Molar Volume: 14.928092836234978
  • Full Formula: Ti2 S4
  • Reduced Formula: TiS2
  • Formula Anonymous: AB2
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m