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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117347
  • 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: 24
  • Number of elements: 3
  • Element list: ['Sb', 'Cl', 'F']
  • Chemical System: Cl-F-Sb
  • Density: 2.9541534481485576
  • Atomic Density: 0.0389082012697363
  • Unit Cell Volume: 616.8365336042341
  • Molar Volume: 15.477818463646532
  • Full Formula: Sb4 Cl14 F6
  • Reduced Formula: Sb2Cl7F3
  • Formula Anonymous: A2B3C7
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2