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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-23872
  • 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: 12
  • Number of elements: 3
  • Element list: ['Nb', 'Se', 'I']
  • Chemical System: I-Nb-Se
  • Density: 6.166007026906844
  • Atomic Density: 0.03728532645271218
  • Unit Cell Volume: 321.84242815251264
  • Molar Volume: 16.151503373955148
  • Full Formula: Nb4 Se4 I4
  • Reduced Formula: NbSeI
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m