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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225696

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-1225696
  • 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: 36
  • Number of elements: 5
  • Element list: ['Fe', 'Co', 'Bi', 'As', 'O']
  • Chemical System: As-Bi-Co-Fe-O
  • Density: 5.9539912604415814
  • Atomic Density: 0.07392681338617116
  • Unit Cell Volume: 486.96810197873623
  • Molar Volume: 8.146084599294403
  • Full Formula: Fe3 Co1 Bi4 As4 O24
  • Reduced Formula: Fe3CoBi4(AsO6)4
  • Formula Anonymous: AB3C4D4E24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -240.66577733
  • Final energy per atom: -6.6851604813888885
  • 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.