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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-62082
  • 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: 16
  • Number of elements: 2
  • Element list: ['Ca', 'Au']
  • Chemical System: Au-Ca
  • Density: 5.994460359126338
  • Atomic Density: 0.036496856972637624
  • Unit Cell Volume: 438.39391463203253
  • Molar Volume: 16.50043663900952
  • Full Formula: Ca10 Au6
  • Reduced Formula: Ca5Au3
  • Formula Anonymous: A3B5
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm