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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117147
  • 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: 22
  • Number of elements: 4
  • Element list: ['Bi', 'Te', 'Cl', 'O']
  • Chemical System: Bi-Cl-O-Te
  • Density: 5.901733068191151
  • Atomic Density: 0.05302477784088681
  • Unit Cell Volume: 414.90037103061746
  • Molar Volume: 11.357220162375475
  • Full Formula: Bi3 Te4 Cl5 O10
  • Reduced Formula: Bi3Te4(ClO2)5
  • Formula Anonymous: A3B4C5D10
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m