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  1. Third-Parties
  2. MatprojStructure
  3. mp-21037

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-21037
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['U', 'Fe', 'S']
  • Chemical System: Fe-S-U
  • Density: 7.685312948688684
  • Atomic Density: 0.05348763518651763
  • Unit Cell Volume: 299.13455594374534
  • Molar Volume: 11.258940012958309
  • Full Formula: U4 Fe2 S10
  • Reduced Formula: U2FeS5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -126.25535897
  • Final energy per atom: -7.890959935625
  • 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.