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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-63625
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Ca', 'Al', 'Au']
  • Chemical System: Al-Au-Ca
  • Density: 6.815910656731283
  • Atomic Density: 0.04663899388933526
  • Unit Cell Volume: 257.2954302675039
  • Molar Volume: 12.912244149797274
  • Full Formula: Ca4 Al4 Au4
  • Reduced Formula: CaAlAu
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm