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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-82043
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Zr', 'Sc', 'Pt']
  • Chemical System: Pt-Sc-Zr
  • Density: 11.286633085523992
  • Atomic Density: 0.05165381423303716
  • Unit Cell Volume: 77.43861822002
  • Molar Volume: 11.658656479521529
  • Full Formula: Zr1 Sc1 Pt2
  • Reduced Formula: ZrScPt2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm