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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-16176
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Li', 'Nb', 'F']
  • Chemical System: F-Li-Nb
  • Density: 3.696501448891911
  • Atomic Density: 0.09074588194072178
  • Unit Cell Volume: 99.17805422706783
  • Molar Volume: 6.63626892064795
  • Full Formula: Li2 Nb1 F6
  • Reduced Formula: Li2NbF6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m