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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-27233
  • 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', 'Te', 'I']
  • Chemical System: I-Nb-Te
  • Density: 5.540193441290658
  • Atomic Density: 0.027746778555485477
  • Unit Cell Volume: 720.8043975269354
  • Molar Volume: 21.703927711671
  • Full Formula: Nb4 Te4 I12
  • Reduced Formula: NbTeI3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m