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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-88671
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Sb', 'S', 'I']
  • Chemical System: I-S-Sb
  • Density: 2.723997586925803
  • Atomic Density: 0.036109139091953714
  • Unit Cell Volume: 775.4269612658616
  • Molar Volume: 16.677608249436023
  • Full Formula: Sb1 S24 I3
  • Reduced Formula: Sb(S8I)3
  • Formula Anonymous: AB3C24
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m