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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-99620
  • 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: 5
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'O', 'F']
  • Chemical System: F-K-Nb-O
  • Density: 4.325524665166363
  • Atomic Density: 0.07117117580428718
  • Unit Cell Volume: 70.2531599836069
  • Molar Volume: 8.461488365121602
  • Full Formula: K1 Nb1 O2 F1
  • Reduced Formula: KNbO2F
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm