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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86667
  • 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: 18
  • Number of elements: 3
  • Element list: ['Zr', 'Al', 'Pt']
  • Chemical System: Al-Pt-Zr
  • Density: 9.64655500680951
  • Atomic Density: 0.05562864854642034
  • Unit Cell Volume: 323.5742817835952
  • Molar Volume: 10.825610395648413
  • Full Formula: Zr6 Al6 Pt6
  • Reduced Formula: ZrAlPt
  • Formula Anonymous: ABC
  • Spacegroup Number: 190
  • Spacegroup Symbol: P-62c
  • Crystal System: hexagonal
  • Pointgroup: -62m