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  1. Third-Parties
  2. MatprojStructure
  3. mp-541929

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-541929
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Fe', 'Si', 'P', 'O']
  • Chemical System: Fe-O-P-Si
  • Density: 2.860721543144125
  • Atomic Density: 0.07812000728923352
  • Unit Cell Volume: 819.2523557127274
  • Molar Volume: 7.70883281884943
  • Full Formula: Fe4 Si4 P12 O44
  • Reduced Formula: FeSiP3O11
  • Formula Anonymous: ABC3D11
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -506.92293724
  • Final energy per atom: -7.920670894375
  • 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.