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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34773
  • 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: 20
  • Number of elements: 3
  • Element list: ['Na', 'Cl', 'O']
  • Chemical System: Cl-Na-O
  • Density: 2.526618327812324
  • Atomic Density: 0.07147459913726484
  • Unit Cell Volume: 279.81968757307186
  • Molar Volume: 8.425567729921308
  • Full Formula: Na4 Cl4 O12
  • Reduced Formula: NaClO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23