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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-26393
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 4
  • Element list: ['Nb', 'Tl', 'Br', 'O']
  • Chemical System: Br-Nb-O-Tl
  • Density: 5.43521625878522
  • Atomic Density: 0.03620155200512781
  • Unit Cell Volume: 193.36187572865597
  • Molar Volume: 16.6350347607942
  • Full Formula: Nb1 Tl1 Br4 O1
  • Reduced Formula: NbTlBr4O
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2