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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-13395
  • 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: 22
  • Number of elements: 3
  • Element list: ['Tl', 'Se', 'I']
  • Chemical System: I-Se-Tl
  • Density: 7.2136048246127595
  • Atomic Density: 0.02635890912476241
  • Unit Cell Volume: 834.6324157752223
  • Molar Volume: 22.846699502987423
  • Full Formula: Tl12 Se2 I8
  • Reduced Formula: Tl6SeI4
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 128
  • Spacegroup Symbol: P4/mnc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm