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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98577
  • 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: 28
  • Number of elements: 4
  • Element list: ['Nd', 'Se', 'Br', 'N']
  • Chemical System: Br-N-Nd-Se
  • Density: 5.965519271884036
  • Atomic Density: 0.04058666841068876
  • Unit Cell Volume: 689.8817049153515
  • Molar Volume: 14.837731195532252
  • Full Formula: Nd12 Se4 Br4 N8
  • Reduced Formula: Nd3SeBrN2
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm