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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-43498
  • 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: 21
  • Number of elements: 4
  • Element list: ['Ba', 'Ti', 'N', 'O']
  • Chemical System: Ba-N-O-Ti
  • Density: 4.597381630456027
  • Atomic Density: 0.07591538140093194
  • Unit Cell Volume: 276.62378311837347
  • Molar Volume: 7.932701711916938
  • Full Formula: Ba2 Ti6 N2 O11
  • Reduced Formula: Ba2Ti6N2O11
  • Formula Anonymous: A2B2C6D11
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m