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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57796
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Na', 'Al', 'F']
  • Chemical System: Al-F-Na
  • Density: 2.7763547458658646
  • Atomic Density: 0.07963941264289788
  • Unit Cell Volume: 125.56596876021516
  • Molar Volume: 7.561759385397783
  • Full Formula: Na3 Al1 F6
  • Reduced Formula: Na3AlF6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm