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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12099
  • 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: 26
  • Number of elements: 3
  • Element list: ['Sc', 'I', 'O']
  • Chemical System: I-O-Sc
  • Density: 4.8779788087670575
  • Atomic Density: 0.06703713549740513
  • Unit Cell Volume: 387.8447342220702
  • Molar Volume: 8.983290701961907
  • Full Formula: Sc2 I6 O18
  • Reduced Formula: Sc(IO3)3
  • Formula Anonymous: AB3C9
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3