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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-30518
  • 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: 16
  • Number of elements: 3
  • Element list: ['Nb', 'Ag', 'F']
  • Chemical System: Ag-F-Nb
  • Density: 4.363592295330397
  • Atomic Density: 0.06678802814188449
  • Unit Cell Volume: 239.5638925887975
  • Molar Volume: 9.016796763645372
  • Full Formula: Nb2 Ag2 F12
  • Reduced Formula: NbAgF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 132
  • Spacegroup Symbol: P4_2/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm