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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-63374
  • 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: 20
  • Number of elements: 2
  • Element list: ['Zr', 'As']
  • Chemical System: As-Zr
  • Density: 6.895762291278173
  • Atomic Density: 0.04902687221134944
  • Unit Cell Volume: 407.93954616933763
  • Molar Volume: 12.283346843011351
  • Full Formula: Zr12 As8
  • Reduced Formula: Zr3As2
  • Formula Anonymous: A2B3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm