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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116194
  • 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: ['Nb', 'I', 'O']
  • Chemical System: I-Nb-O
  • Density: 5.4077968952668085
  • Atomic Density: 0.05173195565148832
  • Unit Cell Volume: 77.32164673896145
  • Molar Volume: 11.641046011425521
  • Full Formula: Nb1 I1 O2
  • Reduced Formula: NbIO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm