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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-107515
  • 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: 5
  • Number of elements: 2
  • Element list: ['Ti', 'Pd']
  • Chemical System: Pd-Ti
  • Density: 6.042684292854123
  • Atomic Density: 0.06107982764056316
  • Unit Cell Volume: 81.86008692466407
  • Molar Volume: 9.859459321723252
  • Full Formula: Ti4 Pd1
  • Reduced Formula: Ti4Pd
  • Formula Anonymous: AB4
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm