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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-38736
  • 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: 14
  • Number of elements: 3
  • Element list: ['Na', 'Ti', 'Se']
  • Chemical System: Na-Se-Ti
  • Density: 5.034224055469383
  • Atomic Density: 0.04747572910604342
  • Unit Cell Volume: 294.8875196572362
  • Molar Volume: 12.684672512451026
  • Full Formula: Na1 Ti5 Se8
  • Reduced Formula: NaTi5Se8
  • Formula Anonymous: AB5C8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m