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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112784
  • 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: 30
  • Number of elements: 3
  • Element list: ['Fe', 'S', 'O']
  • Chemical System: Fe-O-S
  • Density: 3.7605462646328043
  • Atomic Density: 0.08331557237877155
  • Unit Cell Volume: 360.0767436801991
  • Molar Volume: 7.228109449481997
  • Full Formula: Fe6 S6 O18
  • Reduced Formula: FeSO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3