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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12834
  • 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: 5
  • Number of elements: 3
  • Element list: ['Tl', 'Cu', 'Se']
  • Chemical System: Cu-Se-Tl
  • Density: 7.5699369461255825
  • Atomic Density: 0.04657505481728856
  • Unit Cell Volume: 107.35360419037039
  • Molar Volume: 12.929970310554726
  • Full Formula: Tl1 Cu2 Se2
  • Reduced Formula: Tl(CuSe)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm