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  1. Third-Parties
  2. MatprojStructure
  3. mp-542133

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-542133
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Ce', 'Si', 'S', 'Cl']
  • Chemical System: Ce-Cl-S-Si
  • Density: 3.835732692492674
  • Atomic Density: 0.042081181170227196
  • Unit Cell Volume: 665.3805625544144
  • Molar Volume: 14.3107693095381
  • Full Formula: Ce6 Si4 S16 Cl2
  • Reduced Formula: Ce3Si2S8Cl
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -177.78275497
  • Final energy per atom: -6.349384106071429
  • 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.