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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-101723
  • 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: 8
  • Number of elements: 3
  • Element list: ['Fe', 'Se', 'Br']
  • Chemical System: Br-Fe-Se
  • Density: 5.987499864535931
  • Atomic Density: 0.053402399267151505
  • Unit Cell Volume: 149.80600328421764
  • Molar Volume: 11.276910480882263
  • Full Formula: Fe4 Se3 Br1
  • Reduced Formula: Fe4Se3Br
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm