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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116326
  • 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: 5
  • Number of elements: 3
  • Element list: ['Mg', 'Ti', 'O']
  • Chemical System: Mg-O-Ti
  • Density: 2.9739462093253017
  • Atomic Density: 0.07451732081420577
  • Unit Cell Volume: 67.0984939523861
  • Molar Volume: 8.081531507305556
  • Full Formula: Mg1 Ti1 O3
  • Reduced Formula: MgTiO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m