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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12820
  • 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: 24
  • Number of elements: 3
  • Element list: ['Na', 'Tl', 'O']
  • Chemical System: Na-O-Tl
  • Density: 4.874641066641333
  • Atomic Density: 0.05768260551132105
  • Unit Cell Volume: 416.06997096013026
  • Molar Volume: 10.440133046379238
  • Full Formula: Na12 Tl4 O8
  • Reduced Formula: Na3TlO2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm