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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225422

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-1225422
  • 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: 92
  • Number of elements: 4
  • Element list: ['Fe', 'Bi', 'O', 'F']
  • Chemical System: Bi-F-Fe-O
  • Density: 6.792673066293459
  • Atomic Density: 0.07010072926561861
  • Unit Cell Volume: 1312.397188500035
  • Molar Volume: 8.590696306712461
  • Full Formula: Fe20 Bi16 O52 F4
  • Reduced Formula: Fe5Bi4O13F
  • Formula Anonymous: AB4C5D13
  • Spacegroup Number: 94
  • Spacegroup Symbol: P4_22_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -655.44169369
  • Final energy per atom: -7.124366235760869
  • 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.