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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-65332
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Ti', 'Si']
  • Chemical System: Ba-Si-Ti
  • Density: 3.861103278071091
  • Atomic Density: 0.03853434828989616
  • Unit Cell Volume: 103.80349422047483
  • Molar Volume: 15.627981339388649
  • Full Formula: Ba1 Ti1 Si2
  • Reduced Formula: BaTiSi2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm