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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-118088
  • 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: 3
  • Number of elements: 3
  • Element list: ['Sc', 'N', 'Cl']
  • Chemical System: Cl-N-Sc
  • Density: 1.9289859268560297
  • Atomic Density: 0.03691113535206613
  • Unit Cell Volume: 81.27628617720296
  • Molar Volume: 16.315241193638617
  • Full Formula: Sc1 N1 Cl1
  • Reduced Formula: ScNCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2