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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-99024
  • 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: 58
  • Number of elements: 5
  • Element list: ['Na', 'Fe', 'C', 'S', 'O']
  • Chemical System: C-Fe-Na-O-S
  • Density: 2.8782650442906066
  • Atomic Density: 0.0858192226674827
  • Unit Cell Volume: 675.8392606832184
  • Molar Volume: 7.017239929256338
  • Full Formula: Na12 Fe4 C8 S2 O32
  • Reduced Formula: Na6Fe2C4SO16
  • Formula Anonymous: AB2C4D6E16
  • Spacegroup Number: 203
  • Spacegroup Symbol: Fd-31
  • Crystal System: cubic
  • Pointgroup: m-3