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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-42590
  • 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: 28
  • Number of elements: 3
  • Element list: ['Na', 'Ni', 'O']
  • Chemical System: Na-Ni-O
  • Density: 3.1837310345666143
  • Atomic Density: 0.07640296109229319
  • Unit Cell Volume: 366.47794273544685
  • Molar Volume: 7.882077702100287
  • Full Formula: Na12 Ni4 O12
  • Reduced Formula: Na3NiO3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm