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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193761

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-1193761
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Rb', 'Fe', 'S']
  • Chemical System: Fe-Rb-S
  • Density: 3.0465123615795884
  • Atomic Density: 0.03144271248451249
  • Unit Cell Volume: 890.508413159067
  • Molar Volume: 19.152739328600493
  • Full Formula: Rb12 Fe4 S12
  • Reduced Formula: Rb3FeS3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -126.33347618
  • Final energy per atom: -4.511909863571429
  • 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.