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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-16379
  • 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: 8
  • Number of elements: 3
  • Element list: ['Zr', 'Al', 'Pt']
  • Chemical System: Al-Pt-Zr
  • Density: 11.471562015074127
  • Atomic Density: 0.054356378505432595
  • Unit Cell Volume: 147.17683959023222
  • Molar Volume: 11.078995557803989
  • Full Formula: Zr2 Al2 Pt4
  • Reduced Formula: ZrAlPt2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm