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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-14218
  • 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: 10
  • Number of elements: 3
  • Element list: ['Nb', 'Hg', 'F']
  • Chemical System: F-Hg-Nb
  • Density: 7.64319973359058
  • Atomic Density: 0.0569188999893634
  • Unit Cell Volume: 175.68856745068385
  • Molar Volume: 10.580212831107724
  • Full Formula: Nb1 Hg3 F6
  • Reduced Formula: NbHg3F6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m