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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-88740
  • 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: 22
  • Number of elements: 3
  • Element list: ['Na', 'Fe', 'Se']
  • Chemical System: Fe-Na-Se
  • Density: 3.16669666344058
  • Atomic Density: 0.04116238282220609
  • Unit Cell Volume: 534.4685727992293
  • Molar Volume: 14.630204441787571
  • Full Formula: Na12 Fe2 Se8
  • Reduced Formula: Na6FeSe4
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm