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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-115098
  • 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: 3
  • Number of elements: 3
  • Element list: ['Nb', 'Te', 'I']
  • Chemical System: I-Nb-Te
  • Density: 6.183074238838997
  • Atomic Density: 0.032153869179980456
  • Unit Cell Volume: 93.30136859136849
  • Molar Volume: 18.729132491928798
  • Full Formula: Nb1 Te1 I1
  • Reduced Formula: NbTeI
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm