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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-99500
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Tl', 'Br', 'Cl']
  • Chemical System: Br-Cl-Tl
  • Density: 7.368598703825519
  • Atomic Density: 0.03248819380409031
  • Unit Cell Volume: 246.24329835759565
  • Molar Volume: 18.53639754895147
  • Full Formula: Tl4 Br3 Cl1
  • Reduced Formula: Tl4Br3Cl
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm