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  1. Third-Parties
  2. MatprojStructure
  3. mp-3316

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-3316
  • 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: ['Ba', 'Ce', 'O']
  • Chemical System: Ba-Ce-O
  • Density: 6.156414677180367
  • Atomic Density: 0.05696082084217116
  • Unit Cell Volume: 175.55926779405647
  • Molar Volume: 10.572426223783427
  • Full Formula: Ba2 Ce2 O6
  • Reduced Formula: BaCeO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -81.28615542999998
  • Final energy per atom: -8.128615542999999
  • 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.