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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86487
  • 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: 5
  • Number of elements: 3
  • Element list: ['Nd', 'Si', 'Au']
  • Chemical System: Au-Nd-Si
  • Density: 10.14907993447972
  • Atomic Density: 0.051417165910018874
  • Unit Cell Volume: 97.24378836340583
  • Molar Volume: 11.7123156312016
  • Full Formula: Nd1 Si2 Au2
  • Reduced Formula: Nd(SiAu)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm