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  1. Third-Parties
  2. MatprojStructure
  3. mp-684641

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-684641
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 2
  • Element list: ['Fe', 'S']
  • Chemical System: Fe-S
  • Density: 6.39800112631646
  • Atomic Density: 0.08040693550547383
  • Unit Cell Volume: 261.1715005426415
  • Molar Volume: 7.489578756039066
  • Full Formula: Fe14 S7
  • Reduced Formula: Fe2S
  • Formula Anonymous: AB2
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -151.87582966999997
  • Final energy per atom: -7.232182365238094
  • 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.