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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204151

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-1204151
  • 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: 84
  • Number of elements: 5
  • Element list: ['Na', 'Ce', 'H', 'C', 'O']
  • Chemical System: C-Ce-H-Na-O
  • Density: 2.5791516410063915
  • Atomic Density: 0.07689871553482545
  • Unit Cell Volume: 1092.3459438273524
  • Molar Volume: 7.831263133742107
  • Full Formula: Na8 Ce4 H8 C20 O44
  • Reduced Formula: Na2CeH2C5O11
  • Formula Anonymous: AB2C2D5E11
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -632.4874854899999
  • Final energy per atom: -7.529612922499999
  • 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.