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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-107332
  • 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: 7
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'O', 'F']
  • Chemical System: F-K-Nb-O
  • Density: 3.6045553982446954
  • Atomic Density: 0.06381782693966621
  • Unit Cell Volume: 109.68721963249932
  • Molar Volume: 9.436455374284948
  • Full Formula: K2 Nb1 O3 F1
  • Reduced Formula: K2NbO3F
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm