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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120426
  • 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: 22
  • Number of elements: 3
  • Element list: ['Ba', 'La', 'Cl']
  • Chemical System: Ba-Cl-La
  • Density: 3.58830975242568
  • Atomic Density: 0.034017647082726775
  • Unit Cell Volume: 646.7231536178466
  • Molar Volume: 17.70299029017171
  • Full Formula: Ba2 La4 Cl16
  • Reduced Formula: BaLa2Cl8
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4