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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229040

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-1229040
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Al', 'Fe', 'Bi', 'O']
  • Chemical System: Al-Bi-Fe-O
  • Density: 6.086476135980004
  • Atomic Density: 0.07556319885861659
  • Unit Cell Volume: 397.0186605801569
  • Molar Volume: 7.969674194534561
  • Full Formula: Al4 Fe4 Bi4 O18
  • Reduced Formula: Al2Fe2Bi2O9
  • Formula Anonymous: A2B2C2D9
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -220.45378803
  • Final energy per atom: -7.348459601
  • 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.