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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221452

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1221452
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Na', 'Fe', 'H', 'S', 'O']
  • Chemical System: Fe-H-Na-O-S
  • Density: 3.005940644473463
  • Atomic Density: 0.0978092870701824
  • Unit Cell Volume: 531.646856424664
  • Molar Volume: 6.157023469232379
  • Full Formula: Na1 Fe6 H12 S4 O29
  • Reduced Formula: NaFe6H12S4O29
  • Formula Anonymous: AB4C6D12E29
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -332.96251213
  • Final energy per atom: -6.403125233269231
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.