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  1. Third-Parties
  2. MatprojStructure
  3. mp-16534

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-16534
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Ba', 'Sm', 'Fe', 'S']
  • Chemical System: Ba-Fe-S-Sm
  • Density: 5.268216765687237
  • Atomic Density: 0.04364507286620778
  • Unit Cell Volume: 412.41768699019656
  • Molar Volume: 13.797985349825469
  • Full Formula: Ba2 Sm4 Fe2 S10
  • Reduced Formula: BaSm2FeS5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -116.33107678
  • Final energy per atom: -6.462837598888889
  • 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.