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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-58417
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ca', 'Si', 'Pt']
  • Chemical System: Ca-Pt-Si
  • Density: 7.69315726727319
  • Atomic Density: 0.0527973970902058
  • Unit Cell Volume: 227.28393181007905
  • Molar Volume: 11.406131915387814
  • Full Formula: Ca4 Si4 Pt4
  • Reduced Formula: CaSiPt
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm