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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91245
  • 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: 40
  • Number of elements: 4
  • Element list: ['Nb', 'Se', 'O', 'F']
  • Chemical System: F-Nb-O-Se
  • Density: 3.49775241550492
  • Atomic Density: 0.06564954106788867
  • Unit Cell Volume: 609.2959577377046
  • Molar Volume: 9.17316505498867
  • Full Formula: Nb4 Se4 O4 F28
  • Reduced Formula: NbSeOF7
  • Formula Anonymous: ABCD7
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm