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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-110201
  • 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: 6
  • Number of elements: 3
  • Element list: ['Na', 'Tl', 'O']
  • Chemical System: Na-O-Tl
  • Density: 6.601087674504137
  • Atomic Density: 0.04900227122193579
  • Unit Cell Volume: 122.44330416493246
  • Molar Volume: 12.289513546678625
  • Full Formula: Na2 Tl2 O2
  • Reduced Formula: NaTlO
  • Formula Anonymous: ABC
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm