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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12534
  • 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: 16
  • Number of elements: 3
  • Element list: ['Tl', 'Se', 'I']
  • Chemical System: I-Se-Tl
  • Density: 8.22431423057922
  • Atomic Density: 0.03032152758974717
  • Unit Cell Volume: 527.6778998895225
  • Molar Volume: 19.86094118172433
  • Full Formula: Tl10 Se4 I2
  • Reduced Formula: Tl5Se2I
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm