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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12933
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Y', 'N', 'Cl']
  • Chemical System: Cl-N-Y
  • Density: 3.6933883734968322
  • Atomic Density: 0.04475611768208812
  • Unit Cell Volume: 268.11977046888785
  • Molar Volume: 13.455458319187782
  • Full Formula: Y4 N2 Cl6
  • Reduced Formula: Y2NCl3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m