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  1. Third-Parties
  2. MatprojStructure
  3. mp-1520716

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-1520716
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Ba', 'Sr', 'La', 'Bi', 'O']
  • Chemical System: Ba-Bi-La-O-Sr
  • Density: 6.474817976704703
  • Atomic Density: 0.05829928056911895
  • Unit Cell Volume: 686.1148132450188
  • Molar Volume: 10.32969995720654
  • Full Formula: Ba4 Sr4 La4 Bi4 O24
  • Reduced Formula: BaSrLaBiO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 48
  • Spacegroup Symbol: Pnnn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -277.04974025
  • Final energy per atom: -6.9262435062500005
  • 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.