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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120288
  • 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: 4
  • Number of elements: 3
  • Element list: ['Li', 'Nb', 'Se']
  • Chemical System: Li-Nb-Se
  • Density: 5.168691912450551
  • Atomic Density: 0.04830182973905774
  • Unit Cell Volume: 82.81259781687994
  • Molar Volume: 12.467728018862994
  • Full Formula: Li1 Nb1 Se2
  • Reduced Formula: LiNbSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1