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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52306
  • 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: ['Sc', 'Ti', 'O']
  • Chemical System: O-Sc-Ti
  • Density: 3.5633197009656676
  • Atomic Density: 0.07882899919877999
  • Unit Cell Volume: 202.97098989742884
  • Molar Volume: 7.63949919599284
  • Full Formula: Sc4 Ti2 O10
  • Reduced Formula: Sc2TiO5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2