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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117167
  • 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: 27
  • Number of elements: 4
  • Element list: ['Ti', 'Ag', 'I', 'O']
  • Chemical System: Ag-I-O-Ti
  • Density: 5.6929850170521545
  • Atomic Density: 0.07049909760556974
  • Unit Cell Volume: 382.98362556440554
  • Molar Volume: 8.542152970088832
  • Full Formula: Ti1 Ag2 I6 O18
  • Reduced Formula: TiAg2(IO3)6
  • Formula Anonymous: AB2C6D18
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3