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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203970

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-1203970
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Ce', 'H', 'C', 'O']
  • Chemical System: C-Ce-H-O
  • Density: 3.2671257679100343
  • Atomic Density: 0.07923268189716436
  • Unit Cell Volume: 555.3263999962459
  • Molar Volume: 7.600576701185128
  • Full Formula: Ce4 H4 C12 O24
  • Reduced Formula: CeH(CO2)3
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -355.47514513
  • Final energy per atom: -8.078980571136363
  • 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.