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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-95609
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 30
  • Number of elements: 6
  • Element list: ['Na', 'Al', 'H', 'C', 'O', 'F']
  • Chemical System: Al-C-F-H-Na-O
  • Density: 2.5553389773083204
  • Atomic Density: 0.09124493592470126
  • Unit Cell Volume: 328.7853697958331
  • Molar Volume: 6.599972589130532
  • Full Formula: Na7 Al1 H2 C4 O12 F4
  • Reduced Formula: Na7AlH2C4(O3F)4
  • Formula Anonymous: AB2C4D4E7F12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1