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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-122089
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Zr', 'Si', 'As']
  • Chemical System: As-Si-Zr
  • Density: 5.815846607846367
  • Atomic Density: 0.05409614668782111
  • Unit Cell Volume: 221.82726006807448
  • Molar Volume: 11.132291537792264
  • Full Formula: Zr4 Si4 As4
  • Reduced Formula: ZrSiAs
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm