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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116257
  • 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: 4
  • Number of elements: 3
  • Element list: ['Mg', 'Al', 'O']
  • Chemical System: Al-Mg-O
  • Density: 3.0396297858276142
  • Atomic Density: 0.08791500997688632
  • Unit Cell Volume: 45.498487699104366
  • Molar Volume: 6.849957432278376
  • Full Formula: Mg1 Al1 O2
  • Reduced Formula: MgAlO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm