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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-5743
  • 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: 2
  • Element list: ['Nb', 'Cl']
  • Chemical System: Cl-Nb
  • Density: 3.804436275425047
  • Atomic Density: 0.044815938980023826
  • Unit Cell Volume: 490.8967769214038
  • Molar Volume: 13.437497678413697
  • Full Formula: Nb6 Cl16
  • Reduced Formula: Nb3Cl8
  • Formula Anonymous: A3B8
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1