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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-2460
  • 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: 6
  • Number of elements: 3
  • Element list: ['Nd', 'O', 'F']
  • Chemical System: F-Nd-O
  • Density: 6.578012075219335
  • Atomic Density: 0.06630287571913636
  • Unit Cell Volume: 90.49381244663387
  • Molar Volume: 9.082774607711153
  • Full Formula: Nd2 O2 F2
  • Reduced Formula: NdOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m