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  1. Third-Parties
  2. MatprojStructure
  3. mp-4096

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-4096
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ce', 'Al', 'O']
  • Chemical System: Al-Ce-O
  • Density: 6.542648154468822
  • Atomic Density: 0.0915888627069749
  • Unit Cell Volume: 109.1835808901081
  • Molar Volume: 6.57518892801077
  • Full Formula: Ce2 Al2 O6
  • Reduced Formula: CeAlO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -85.20020075
  • Final energy per atom: -8.520020075
  • 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.