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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201269

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-1201269
  • 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: 42
  • Number of elements: 6
  • Element list: ['Ca', 'Ce', 'Al', 'Fe', 'Si', 'O']
  • Chemical System: Al-Ca-Ce-Fe-O-Si
  • Density: 4.028715279461168
  • Atomic Density: 0.08750375620254389
  • Unit Cell Volume: 479.97939543055855
  • Molar Volume: 6.882151145672677
  • Full Formula: Ca2 Ce2 Al4 Fe2 Si6 O26
  • Reduced Formula: CaCeAl2FeSi3O13
  • Formula Anonymous: ABCD2E3F13
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -345.40249527000003
  • Final energy per atom: -8.223868935
  • 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.