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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57245
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 4
  • Element list: ['Na', 'Ni', 'I', 'O']
  • Chemical System: I-Na-Ni-O
  • Density: 4.544586599916564
  • Atomic Density: 0.08086873575967464
  • Unit Cell Volume: 111.2914640677228
  • Molar Volume: 7.446809577803433
  • Full Formula: Na1 Ni1 I1 O6
  • Reduced Formula: NaNiIO6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 149
  • Spacegroup Symbol: P312
  • Crystal System: trigonal
  • Pointgroup: 312