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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-81758
  • 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: 4
  • Number of elements: 3
  • Element list: ['Sc', 'Ti', 'Tl']
  • Chemical System: Sc-Ti-Tl
  • Density: 6.577315022802228
  • Atomic Density: 0.046304969633478
  • Unit Cell Volume: 86.3838165031004
  • Molar Volume: 13.005387559192041
  • Full Formula: Sc2 Ti1 Tl1
  • Reduced Formula: Sc2TiTl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m