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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-60641
  • 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: 22
  • Number of elements: 2
  • Element list: ['Nb', 'I']
  • Chemical System: I-Nb
  • Density: 6.001841227302307
  • Atomic Density: 0.030726206896951234
  • Unit Cell Volume: 716.0011671399284
  • Molar Volume: 19.599362785640615
  • Full Formula: Nb6 I16
  • Reduced Formula: Nb3I8
  • Formula Anonymous: A3B8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m