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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-31900
  • 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: 22
  • Number of elements: 3
  • Element list: ['Nb', 'Te', 'I']
  • Chemical System: I-Nb-Te
  • Density: 5.07250667591455
  • Atomic Density: 0.0246217239683544
  • Unit Cell Volume: 893.5198862710009
  • Molar Volume: 24.458647849923455
  • Full Formula: Nb2 Te8 I12
  • Reduced Formula: Nb(Te2I3)2
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1