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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114784
  • 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: 4
  • Number of elements: 3
  • Element list: ['Na', 'Sb', 'Cl']
  • Chemical System: Cl-Na-Sb
  • Density: 3.3469456162300877
  • Atomic Density: 0.03738509327389868
  • Unit Cell Volume: 106.99451705775729
  • Molar Volume: 16.108401056750886
  • Full Formula: Na1 Sb1 Cl2
  • Reduced Formula: NaSbCl2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm