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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-106317
  • 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: 10
  • Number of elements: 2
  • Element list: ['Zr', 'Se']
  • Chemical System: Se-Zr
  • Density: 5.991273989875061
  • Atomic Density: 0.04302156702059367
  • Unit Cell Volume: 232.44155646894905
  • Molar Volume: 13.997957715294996
  • Full Formula: Zr4 Se6
  • Reduced Formula: Zr2Se3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m