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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98355
  • 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: 48
  • Number of elements: 3
  • Element list: ['Ba', 'Al', 'O']
  • Chemical System: Al-Ba-O
  • Density: 3.574745548294505
  • Atomic Density: 0.07231132446539877
  • Unit Cell Volume: 663.7964434321511
  • Molar Volume: 8.328074204866233
  • Full Formula: Ba4 Al16 O28
  • Reduced Formula: BaAl4O7
  • Formula Anonymous: AB4C7
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm