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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86101
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Cr', 'Fe', 'Se']
  • Chemical System: Cr-Fe-Se
  • Density: 6.764799737347002
  • Atomic Density: 0.05946913707494783
  • Unit Cell Volume: 117.70811456668746
  • Molar Volume: 10.12649763592569
  • Full Formula: Cr1 Fe2 Se4
  • Reduced Formula: Cr(FeSe2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m