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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112865
  • 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: 12
  • Number of elements: 3
  • Element list: ['Nd', 'Al', 'Au']
  • Chemical System: Al-Au-Nd
  • Density: 9.112047293580167
  • Atomic Density: 0.044711167111769604
  • Unit Cell Volume: 268.3893258702514
  • Molar Volume: 13.468985823934698
  • Full Formula: Nd4 Al4 Au4
  • Reduced Formula: NdAlAu
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm