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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-111326
  • 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: 6
  • Number of elements: 3
  • Element list: ['Zr', 'As', 'Se']
  • Chemical System: As-Se-Zr
  • Density: 6.768802142838064
  • Atomic Density: 0.05030640870264296
  • Unit Cell Volume: 119.26909820705959
  • Molar Volume: 11.970921628686273
  • Full Formula: Zr2 As3 Se1
  • Reduced Formula: Zr2As3Se
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm