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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98317
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 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: 1.8066533079782763
  • Atomic Density: 0.051107767068074746
  • Unit Cell Volume: 391.32995134301825
  • Molar Volume: 11.783220252958033
  • Full Formula: Na4 Cl4 O12
  • Reduced Formula: NaClO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1