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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-31902
  • 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: 24
  • Number of elements: 3
  • Element list: ['Se', 'N', 'Cl']
  • Chemical System: Cl-N-Se
  • Density: 3.072948986296705
  • Atomic Density: 0.03989942282375253
  • Unit Cell Volume: 601.5124606191686
  • Molar Volume: 15.093302944760792
  • Full Formula: Se8 N4 Cl12
  • Reduced Formula: Se2NCl3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m