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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-113685
  • 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', 'S', 'O']
  • Chemical System: Al-O-S
  • Density: 3.2380811725027225
  • Atomic Density: 0.07795297513884147
  • Unit Cell Volume: 76.96948050171842
  • Molar Volume: 7.725350763423729
  • Full Formula: Al2 S2 O2
  • Reduced Formula: AlSO
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm