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  1. Third-Parties
  2. MatprojStructure
  3. mp-530391

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-530391
  • 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: 56
  • Number of elements: 3
  • Element list: ['Sr', 'Fe', 'S']
  • Chemical System: Fe-S-Sr
  • Density: 3.6459038580328187
  • Atomic Density: 0.04691913901352928
  • Unit Cell Volume: 1193.5427882394054
  • Molar Volume: 12.835147631893877
  • Full Formula: Sr8 Fe16 S32
  • Reduced Formula: Sr(FeS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 50
  • Spacegroup Symbol: Pban1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -341.38059057
  • Final energy per atom: -6.096081974464285
  • 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.