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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-108116
  • 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: 10
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Nb', 'O', 'F']
  • Chemical System: F-K-Na-Nb-O
  • Density: 3.2652499092072755
  • Atomic Density: 0.06509354660528256
  • Unit Cell Volume: 153.62505995622715
  • Molar Volume: 9.251517353198393
  • Full Formula: K2 Na1 Nb1 O2 F4
  • Reduced Formula: K2NaNb(OF2)2
  • Formula Anonymous: ABC2D2E4
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm