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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91457
  • 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: 20
  • Number of elements: 4
  • Element list: ['Na', 'Nb', 'O', 'F']
  • Chemical System: F-Na-Nb-O
  • Density: 4.332938990274895
  • Atomic Density: 0.07817437940217556
  • Unit Cell Volume: 255.83829578112915
  • Molar Volume: 7.70347114496237
  • Full Formula: Na4 Nb4 O8 F4
  • Reduced Formula: NaNbO2F
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm