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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-51344
  • 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: 2.3226071981166023
  • Atomic Density: 0.09024712801550847
  • Unit Cell Volume: 44.322740102184994
  • Molar Volume: 6.672944494106371
  • Full Formula: Na1 H1 F2
  • Reduced Formula: NaHF2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1