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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196411

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-1196411
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 82
  • Number of elements: 4
  • Element list: ['Ce', 'H', 'S', 'O']
  • Chemical System: Ce-H-O-S
  • Density: 2.817341978173169
  • Atomic Density: 0.0976256262250344
  • Unit Cell Volume: 839.9433957123496
  • Molar Volume: 6.1686065358684745
  • Full Formula: Ce4 H32 S6 O40
  • Reduced Formula: Ce2H16S3O20
  • Formula Anonymous: A2B3C16D20
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -507.52415166
  • Final energy per atom: -6.189318922682927
  • 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.