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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-3936
  • 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: 6
  • Number of elements: 3
  • Element list: ['Th', 'N', 'Cl']
  • Chemical System: Cl-N-Th
  • Density: 7.9652966364946876
  • Atomic Density: 0.05112097967319775
  • Unit Cell Volume: 117.36864274425757
  • Molar Volume: 11.780174790267862
  • Full Formula: Th2 N2 Cl2
  • Reduced Formula: ThNCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm