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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197136

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-1197136
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['H', 'C', 'S', 'N']
  • Chemical System: C-H-N-S
  • Density: 1.415693320638229
  • Atomic Density: 0.08509897301171111
  • Unit Cell Volume: 517.0450176166618
  • Molar Volume: 7.07663153487322
  • Full Formula: H24 C4 S8 N8
  • Reduced Formula: H6C(SN)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -235.35055176
  • Final energy per atom: -5.348876176363636
  • 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.