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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-108057
  • 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: 10
  • Number of elements: 3
  • Element list: ['Tl', 'Br', 'Cl']
  • Chemical System: Br-Cl-Tl
  • Density: 7.124452373789053
  • Atomic Density: 0.03449930349013931
  • Unit Cell Volume: 289.86092437658135
  • Molar Volume: 17.455832874194883
  • Full Formula: Tl5 Br1 Cl4
  • Reduced Formula: Tl5BrCl4
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm