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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214257

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-1214257
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['C', 'S', 'Br']
  • Chemical System: Br-C-S
  • Density: 2.7612380269109114
  • Atomic Density: 0.03744012157420146
  • Unit Cell Volume: 961.5353392657307
  • Molar Volume: 16.084725441034962
  • Full Formula: C16 S4 Br16
  • Reduced Formula: C4SBr4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -191.68605141
  • Final energy per atom: -5.324612539166667
  • 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.