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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-26716
  • 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: 21
  • Number of elements: 3
  • Element list: ['Na', 'Ti', 'O']
  • Chemical System: Na-O-Ti
  • Density: 3.6501616510425334
  • Atomic Density: 0.08821500266662374
  • Unit Cell Volume: 238.0547453970137
  • Molar Volume: 6.82666278746085
  • Full Formula: Na4 Ti5 O12
  • Reduced Formula: Na4Ti5O12
  • Formula Anonymous: A4B5C12
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3