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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-49874
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 15
  • Number of elements: 3
  • Element list: ['Na', 'Ti', 'O']
  • Chemical System: Na-O-Ti
  • Density: 3.4486456075235856
  • Atomic Density: 0.0856880532097933
  • Unit Cell Volume: 175.0535744262381
  • Molar Volume: 7.0279817715729465
  • Full Formula: Na4 Ti3 O8
  • Reduced Formula: Na4Ti3O8
  • Formula Anonymous: A3B4C8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m