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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-85778
  • 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: 12
  • Number of elements: 3
  • Element list: ['Nd', 'As', 'Se']
  • Chemical System: As-Nd-Se
  • Density: 6.719429597773362
  • Atomic Density: 0.04072004116281168
  • Unit Cell Volume: 294.6951834360919
  • Molar Volume: 14.789132299551381
  • Full Formula: Nd4 As4 Se4
  • Reduced Formula: NdAsSe
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm