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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50666
  • 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: 17
  • Number of elements: 3
  • Element list: ['Th', 'Nb', 'O']
  • Chemical System: Nb-O-Th
  • Density: 5.263187118806424
  • Atomic Density: 0.06772095671156636
  • Unit Cell Volume: 251.03012162698073
  • Molar Volume: 8.892580749632929
  • Full Formula: Th1 Nb4 O12
  • Reduced Formula: ThNb4O12
  • Formula Anonymous: AB4C12
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm