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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200235

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-1200235
  • 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: 52
  • Number of elements: 5
  • Element list: ['Ce', 'H', 'C', 'S', 'O']
  • Chemical System: C-Ce-H-O-S
  • Density: 3.32568255652572
  • Atomic Density: 0.08701558159970155
  • Unit Cell Volume: 597.5941210071549
  • Molar Volume: 6.920761373179923
  • Full Formula: Ce4 H12 C4 S4 O28
  • Reduced Formula: CeH3CSO7
  • Formula Anonymous: ABCD3E7
  • Spacegroup Number: 78
  • Spacegroup Symbol: P4_3
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -360.38879935
  • Final energy per atom: -6.930553833653846
  • 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.