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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97030
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['K', 'Fe', 'Se']
  • Chemical System: Fe-K-Se
  • Density: 5.3129777900666415
  • Atomic Density: 0.05182157414878707
  • Unit Cell Volume: 192.9698231722677
  • Molar Volume: 11.620914375757058
  • Full Formula: K2 Fe4 Se4
  • Reduced Formula: K(FeSe)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm