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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-14171
  • 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: 8
  • Number of elements: 3
  • Element list: ['Tl', 'Fe', 'Se']
  • Chemical System: Fe-Se-Tl
  • Density: 7.0987321473806055
  • Atomic Density: 0.04089416527469935
  • Unit Cell Volume: 195.62692981410453
  • Molar Volume: 14.726161347339726
  • Full Formula: Tl2 Fe2 Se4
  • Reduced Formula: TlFeSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m