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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119437
  • 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: 22
  • Number of elements: 2
  • Element list: ['Zr', 'As']
  • Chemical System: As-Zr
  • Density: 7.040618277538136
  • Atomic Density: 0.04970885694898672
  • Unit Cell Volume: 442.5770647387307
  • Molar Volume: 12.114824459110311
  • Full Formula: Zr14 As8
  • Reduced Formula: Zr7As4
  • Formula Anonymous: A4B7
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m