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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120165
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Sc', 'O', 'F']
  • Chemical System: F-O-Sc
  • Density: 2.5281677328811294
  • Atomic Density: 0.05712673358383853
  • Unit Cell Volume: 52.514817700844645
  • Molar Volume: 10.541720806007534
  • Full Formula: Sc1 O1 F1
  • Reduced Formula: ScOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2