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  1. Third-Parties
  2. MatprojStructure
  3. mp-771992

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-771992
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['Na', 'Fe', 'C', 'S', 'O']
  • Chemical System: C-Fe-Na-O-S
  • Density: 2.3977901837079156
  • Atomic Density: 0.07311043673254673
  • Unit Cell Volume: 683.8968857881462
  • Molar Volume: 8.23704662308372
  • Full Formula: Na4 Fe4 C8 S2 O32
  • Reduced Formula: Na2Fe2C4SO16
  • Formula Anonymous: AB2C2D4E16
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -365.92511987
  • Final energy per atom: -7.3185023974
  • 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.