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  1. Third-Parties
  2. MatprojStructure
  3. mp-5323

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-5323
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ce', 'Al', 'O']
  • Chemical System: Al-Ce-O
  • Density: 6.580870228140167
  • Atomic Density: 0.09212392376714663
  • Unit Cell Volume: 54.27471817893961
  • Molar Volume: 6.536999851658105
  • Full Formula: Ce1 Al1 O3
  • Reduced Formula: CeAlO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -42.53441397
  • Final energy per atom: -8.506882794000001
  • 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.