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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-110533
  • 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: ['Ti', 'Re', 'Pt']
  • Chemical System: Pt-Re-Ti
  • Density: 12.815670057154788
  • Atomic Density: 0.0647159113627792
  • Unit Cell Volume: 61.8086018688221
  • Molar Volume: 9.305502515821145
  • Full Formula: Ti2 Re1 Pt1
  • Reduced Formula: Ti2RePt
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm