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  1. Third-Parties
  2. MatprojStructure
  3. mp-555031

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-555031
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 4
  • Element list: ['Fe', 'Si', 'P', 'O']
  • Chemical System: Fe-O-P-Si
  • Density: 3.089701907143396
  • Atomic Density: 0.07960319918746606
  • Unit Cell Volume: 1406.9786282865248
  • Molar Volume: 7.565199415940331
  • Full Formula: Fe12 Si4 P20 O76
  • Reduced Formula: Fe3SiP5O19
  • Formula Anonymous: AB3C5D19
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -886.86203671
  • Final energy per atom: -7.918411042053571
  • 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.