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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-121318
  • 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: 16
  • Number of elements: 3
  • Element list: ['Nd', 'As', 'Au']
  • Chemical System: As-Au-Nd
  • Density: 9.232480743564293
  • Atomic Density: 0.04528996910787838
  • Unit Cell Volume: 353.2791104778372
  • Molar Volume: 13.29685331790704
  • Full Formula: Nd4 As8 Au4
  • Reduced Formula: NdAs2Au
  • Formula Anonymous: ABC2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm