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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-113077
  • 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: 23
  • Number of elements: 5
  • Element list: ['Na', 'Al', 'Si', 'Cl', 'O']
  • Chemical System: Al-Cl-Na-O-Si
  • Density: 2.289656876110772
  • Atomic Density: 0.06544257246998021
  • Unit Cell Volume: 351.4531769140119
  • Molar Volume: 9.202176095327662
  • Full Formula: Na4 Al3 Si3 Cl1 O12
  • Reduced Formula: Na4Al3Si3ClO12
  • Formula Anonymous: AB3C3D4E12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2