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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-14034
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Na', 'Fe', 'S']
  • Chemical System: Fe-Na-S
  • Density: 2.4582442040424977
  • Atomic Density: 0.041419694373290544
  • Unit Cell Volume: 193.14483414341157
  • Molar Volume: 14.53931722848098
  • Full Formula: Na2 Fe2 S4
  • Reduced Formula: NaFeS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 23
  • Spacegroup Symbol: I222
  • Crystal System: orthorhombic
  • Pointgroup: 222