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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-65715
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Tl', 'Br']
  • Chemical System: Ba-Br-Tl
  • Density: 6.787869014901405
  • Atomic Density: 0.026119910160872947
  • Unit Cell Volume: 153.13988353573714
  • Molar Volume: 23.055748365555388
  • Full Formula: Ba1 Tl2 Br1
  • Reduced Formula: BaTl2Br
  • Formula Anonymous: ABC2
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm