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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50910
  • 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: 20
  • Number of elements: 3
  • Element list: ['Sc', 'Ti', 'O']
  • Chemical System: O-Sc-Ti
  • Density: 4.417922648161232
  • Atomic Density: 0.09446506878603946
  • Unit Cell Volume: 211.71847178028736
  • Molar Volume: 6.374992192764891
  • Full Formula: Sc4 Ti4 O12
  • Reduced Formula: ScTiO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm