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  1. Third-Parties
  2. MatprojStructure
  3. mp-1519390

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-1519390
  • 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: 10
  • Number of elements: 5
  • Element list: ['Ca', 'La', 'Fe', 'Bi', 'O']
  • Chemical System: Bi-Ca-Fe-La-O
  • Density: 6.314940018525619
  • Atomic Density: 0.07045032682926651
  • Unit Cell Volume: 141.9439830880358
  • Molar Volume: 8.54806646191211
  • Full Formula: Ca1 La1 Fe1 Bi1 O6
  • Reduced Formula: CaLaFeBiO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -71.4332375
  • Final energy per atom: -7.14332375
  • 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.