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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9529
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Mg', 'Ti', 'O']
  • Chemical System: Mg-O-Ti
  • Density: 3.5250275276879988
  • Atomic Density: 0.08151309949409218
  • Unit Cell Volume: 196.28746912218242
  • Molar Volume: 7.3879423029871
  • Full Formula: Mg4 Ti4 O8
  • Reduced Formula: MgTiO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m