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  1. Third-Parties
  2. MatprojStructure
  3. mp-1519350

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-1519350
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Ca', 'La', 'Fe', 'Bi', 'O']
  • Chemical System: Bi-Ca-Fe-La-O
  • Density: 6.266806361592529
  • Atomic Density: 0.0699133412280611
  • Unit Cell Volume: 286.0684334161475
  • Molar Volume: 8.61372186512364
  • Full Formula: Ca2 La2 Fe2 Bi2 O12
  • Reduced Formula: CaLaFeBiO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 118
  • Spacegroup Symbol: P-4n2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -142.7951777
  • Final energy per atom: -7.139758885000001
  • 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.