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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-110118
  • 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: 5
  • Number of elements: 2
  • Element list: ['Zr', 'Se']
  • Chemical System: Se-Zr
  • Density: 6.601823167586391
  • Atomic Density: 0.04605867161760821
  • Unit Cell Volume: 108.55719073948502
  • Molar Volume: 13.074933662866947
  • Full Formula: Zr3 Se2
  • Reduced Formula: Zr3Se2
  • Formula Anonymous: A2B3
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2