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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-26040
  • 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: 20
  • Number of elements: 3
  • Element list: ['Nb', 'Se', 'I']
  • Chemical System: I-Nb-Se
  • Density: 5.377660223587966
  • Atomic Density: 0.029303484694121164
  • Unit Cell Volume: 682.5126843706878
  • Molar Volume: 20.55093727882867
  • Full Formula: Nb4 Se4 I12
  • Reduced Formula: NbSeI3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m