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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-26443
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Sc', 'Nb', 'O']
  • Chemical System: Nb-O-Sc
  • Density: 4.6641770562634095
  • Atomic Density: 0.08348859348073194
  • Unit Cell Volume: 143.7322093918068
  • Molar Volume: 7.2131299725271205
  • Full Formula: Sc2 Nb2 O8
  • Reduced Formula: ScNbO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m