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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120120
  • 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: 6
  • Number of elements: 3
  • Element list: ['Al', 'As', 'O']
  • Chemical System: Al-As-O
  • Density: 2.870520448218478
  • Atomic Density: 0.06251935348383267
  • Unit Cell Volume: 95.97028225110459
  • Molar Volume: 9.632442474884693
  • Full Formula: Al1 As1 O4
  • Reduced Formula: AlAsO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4