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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-44778
  • 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: 24
  • Number of elements: 3
  • Element list: ['Na', 'Ni', 'O']
  • Chemical System: Na-Ni-O
  • Density: 2.885121592646335
  • Atomic Density: 0.0652929134204871
  • Unit Cell Volume: 367.5743467815524
  • Molar Volume: 9.22326856701484
  • Full Formula: Na12 Ni4 O8
  • Reduced Formula: Na3NiO2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm