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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197944

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-1197944
  • 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: 76
  • Number of elements: 4
  • Element list: ['K', 'Ce', 'S', 'O']
  • Chemical System: Ce-K-O-S
  • Density: 2.923919301020208
  • Atomic Density: 0.06403003762804908
  • Unit Cell Volume: 1186.9429226558402
  • Molar Volume: 9.405180729367453
  • Full Formula: K8 Ce4 S12 O52
  • Reduced Formula: K2CeS3O13
  • Formula Anonymous: AB2C3D13
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -504.87422667
  • Final energy per atom: -6.643081929868421
  • 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.