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  1. Third-Parties
  2. MatprojStructure
  3. mp-531715

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-531715
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 3
  • Element list: ['Fe', 'Bi', 'O']
  • Chemical System: Bi-Fe-O
  • Density: 7.2334828291767375
  • Atomic Density: 0.07933468978062215
  • Unit Cell Volume: 1008.3861198829615
  • Molar Volume: 7.590803942956787
  • Full Formula: Fe20 Bi12 O48
  • Reduced Formula: Fe5(BiO4)3
  • Formula Anonymous: A3B5C12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -579.55545291
  • Final energy per atom: -7.244443161375
  • 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.