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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12550
  • 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: 18
  • Number of elements: 5
  • Element list: ['Na', 'S', 'Cl', 'O', 'F']
  • Chemical System: Cl-F-Na-O-S
  • Density: 2.4969607878131383
  • Atomic Density: 0.07039172309936803
  • Unit Cell Volume: 255.7118821283919
  • Molar Volume: 8.555183045453914
  • Full Formula: Na6 S2 Cl1 O8 F1
  • Reduced Formula: Na6S2ClO8F
  • Formula Anonymous: ABC2D6E8
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m