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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-118092
  • 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: 6
  • Number of elements: 3
  • Element list: ['Sc', 'N', 'Cl']
  • Chemical System: Cl-N-Sc
  • Density: 2.460964077187226
  • Atomic Density: 0.04428928120627089
  • Unit Cell Volume: 135.47295951938963
  • Molar Volume: 13.59728718999244
  • Full Formula: Sc1 N1 Cl4
  • Reduced Formula: ScNCl4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m