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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91452
  • 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: 16
  • Number of elements: 3
  • Element list: ['Tl', 'C', 'O']
  • Chemical System: C-O-Tl
  • Density: 6.446559366122935
  • Atomic Density: 0.06251725160134235
  • Unit Cell Volume: 255.92935694019621
  • Molar Volume: 9.632766325688403
  • Full Formula: Tl4 C4 O8
  • Reduced Formula: TlCO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m