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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-24335
  • 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: 32
  • Number of elements: 4
  • Element list: ['Na', 'Ti', 'As', 'O']
  • Chemical System: As-Na-O-Ti
  • Density: 3.212780028370789
  • Atomic Density: 0.07138362990966149
  • Unit Cell Volume: 448.28205066759887
  • Molar Volume: 8.436305029067913
  • Full Formula: Na8 Ti2 As4 O18
  • Reduced Formula: Na4TiAs2O9
  • Formula Anonymous: AB2C4D9
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m