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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-85817
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ti', 'Mn', 'O']
  • Chemical System: Mn-O-Ti
  • Density: 4.532613828927082
  • Atomic Density: 0.09050215894874936
  • Unit Cell Volume: 110.494601633348
  • Molar Volume: 6.654140442561475
  • Full Formula: Ti2 Mn2 O6
  • Reduced Formula: TiMnO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m