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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-77426
  • 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: 4
  • Number of elements: 3
  • Element list: ['Sc', 'Hg', 'Pt']
  • Chemical System: Hg-Pt-Sc
  • Density: 8.068864916346946
  • Atomic Density: 0.040027396118103506
  • Unit Cell Volume: 99.93155658184041
  • Molar Volume: 15.045047502543687
  • Full Formula: Sc2 Hg1 Pt1
  • Reduced Formula: Sc2HgPt
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm