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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202597

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-1202597
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 132
  • Number of elements: 4
  • Element list: ['Na', 'Fe', 'S', 'O']
  • Chemical System: Fe-Na-O-S
  • Density: 2.5152234748603397
  • Atomic Density: 0.07228512654639077
  • Unit Cell Volume: 1826.101804155876
  • Molar Volume: 8.331092505088362
  • Full Formula: Na18 Fe6 S18 O90
  • Reduced Formula: Na3Fe(SO5)3
  • Formula Anonymous: AB3C3D15
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -787.18281041
  • Final energy per atom: -5.963506139469697
  • 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.