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  1. Third-Parties
  2. MatprojStructure
  3. mp-1519525

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-1519525
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Ba', 'Na', 'Ce', 'Bi', 'O']
  • Chemical System: Ba-Bi-Ce-Na-O
  • Density: 6.2307693352552125
  • Atomic Density: 0.06197881879797551
  • Unit Cell Volume: 645.3817735762749
  • Molar Volume: 9.716449711036942
  • Full Formula: Ba4 Na4 Ce4 Bi4 O24
  • Reduced Formula: BaNaCeBiO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 48
  • Spacegroup Symbol: Pnnn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -274.28232199
  • Final energy per atom: -6.85705804975
  • 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.