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  1. Third-Parties
  2. MatprojStructure
  3. mp-1078874

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-1078874
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Ba', 'Ce', 'Ta', 'O']
  • Chemical System: Ba-Ce-O-Ta
  • Density: 7.063294363905758
  • Atomic Density: 0.06149381924492686
  • Unit Cell Volume: 162.61796913557265
  • Molar Volume: 9.793083002397541
  • Full Formula: Ba2 Ce1 Ta1 O6
  • Reduced Formula: Ba2CeTaO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -86.17054019
  • Final energy per atom: -8.617054019
  • 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.