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  1. Third-Parties
  2. MatprojStructure
  3. mp-696936

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-696936
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 4
  • Element list: ['Fe', 'H', 'S', 'O']
  • Chemical System: Fe-H-O-S
  • Density: 3.027157782181235
  • Atomic Density: 0.08993786727505947
  • Unit Cell Volume: 644.8896527934891
  • Molar Volume: 6.695890109982618
  • Full Formula: Fe6 H8 S8 O36
  • Reduced Formula: Fe3H4(S2O9)2
  • Formula Anonymous: A3B4C4D18
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -388.55614835
  • Final energy per atom: -6.699243937068966
  • 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.