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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50824
  • 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: 11
  • Number of elements: 3
  • Element list: ['Sc', 'Ti', 'O']
  • Chemical System: O-Sc-Ti
  • Density: 3.376102630827035
  • Atomic Density: 0.07513902624412534
  • Unit Cell Volume: 146.39529615756794
  • Molar Volume: 8.01466436420692
  • Full Formula: Sc2 Ti2 O7
  • Reduced Formula: Sc2Ti2O7
  • Formula Anonymous: A2B2C7
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m