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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98547
  • 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: 68
  • Number of elements: 3
  • Element list: ['Tl', 'Cr', 'O']
  • Chemical System: Cr-O-Tl
  • Density: 5.038088217149439
  • Atomic Density: 0.06815763021978875
  • Unit Cell Volume: 997.6872696530023
  • Molar Volume: 8.835607606338908
  • Full Formula: Tl8 Cr12 O48
  • Reduced Formula: Tl2Cr3O12
  • Formula Anonymous: A2B3C12
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm