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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50177
  • 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: 9
  • Number of elements: 4
  • Element list: ['Li', 'Nb', 'O', 'F']
  • Chemical System: F-Li-Nb-O
  • Density: 3.668258772961126
  • Atomic Density: 0.09129264504527222
  • Unit Cell Volume: 98.58406441764153
  • Molar Volume: 6.596523473510497
  • Full Formula: Li2 Nb1 O1 F5
  • Reduced Formula: Li2NbOF5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m