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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-115559
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Tl', 'Cl']
  • Chemical System: Ba-Cl-Tl
  • Density: 5.402422285275849
  • Atomic Density: 0.031539372010398185
  • Unit Cell Volume: 126.8256070121258
  • Molar Volume: 19.094041434986615
  • Full Formula: Ba1 Tl1 Cl2
  • Reduced Formula: BaTlCl2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm