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  1. Third-Parties
  2. MatprojStructure
  3. mp-1097054

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-1097054
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['K', 'Ce', 'Fe', 'O']
  • Chemical System: Ce-Fe-K-O
  • Density: 5.348563743413132
  • Atomic Density: 0.06836107460995096
  • Unit Cell Volume: 585.1283091763659
  • Molar Volume: 8.809312601302187
  • Full Formula: K4 Ce8 Fe4 O24
  • Reduced Formula: KCe2FeO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -317.10040262
  • Final energy per atom: -7.9275100655
  • 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.