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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117928
  • 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: 4
  • Number of elements: 3
  • Element list: ['Tl', 'C', 'N']
  • Chemical System: C-N-Tl
  • Density: 6.031242128381525
  • Atomic Density: 0.05944335411662215
  • Unit Cell Volume: 67.29095387437903
  • Molar Volume: 10.130889902654447
  • Full Formula: Tl1 C1 N2
  • Reduced Formula: TlCN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m