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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-35475
  • 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: 7
  • Number of elements: 3
  • Element list: ['Al', 'As', 'Pt']
  • Chemical System: Al-As-Pt
  • Density: 15.847542956841487
  • Atomic Density: 0.06201045136770509
  • Unit Cell Volume: 112.88419686694274
  • Molar Volume: 9.71149318731829
  • Full Formula: Al1 As1 Pt5
  • Reduced Formula: AlAsPt5
  • Formula Anonymous: ABC5
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm