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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-89895
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 4
  • Element list: ['Nd', 'Fe', 'Se', 'O']
  • Chemical System: Fe-Nd-O-Se
  • Density: 6.663123200460125
  • Atomic Density: 0.05958439862026506
  • Unit Cell Volume: 151.0462505018728
  • Molar Volume: 10.106908686583317
  • Full Formula: Nd2 Fe2 Se2 O3
  • Reduced Formula: Nd2Fe2Se2O3
  • Formula Anonymous: A2B2C2D3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm