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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-5203
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Sb', 'S', 'I']
  • Chemical System: I-S-Sb
  • Density: 5.082335910312657
  • Atomic Density: 0.032707512594330614
  • Unit Cell Volume: 366.8881870913055
  • Molar Volume: 18.412102548708805
  • Full Formula: Sb4 S4 I4
  • Reduced Formula: SbSI
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm