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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-17285
  • 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: 8
  • Number of elements: 3
  • Element list: ['Tl', 'Cu', 'Se']
  • Chemical System: Cu-Se-Tl
  • Density: 6.666324793498426
  • Atomic Density: 0.03770868828216827
  • Unit Cell Volume: 212.1526991375897
  • Molar Volume: 15.970167710256199
  • Full Formula: Tl2 Cu2 Se4
  • Reduced Formula: TlCuSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m