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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193765

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-1193765
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Fe', 'S', 'Br', 'N']
  • Chemical System: Br-Fe-N-S
  • Density: 2.5021866445106684
  • Atomic Density: 0.03676821403708339
  • Unit Cell Volume: 761.5273336844696
  • Molar Volume: 16.37865998584059
  • Full Formula: Fe2 S8 Br8 N10
  • Reduced Formula: FeS4Br4N5
  • Formula Anonymous: AB4C4D5
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -138.37341469
  • Final energy per atom: -4.9419076675
  • 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.