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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-24626
  • 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: 4
  • Number of elements: 3
  • Element list: ['Na', 'H', 'F']
  • Chemical System: F-H-Na
  • Density: 2.176921935355859
  • Atomic Density: 0.08458638754720922
  • Unit Cell Volume: 47.28893284120363
  • Molar Volume: 7.119515248997875
  • Full Formula: Na1 H1 F2
  • Reduced Formula: NaHF2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m