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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196342

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-1196342
  • 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: 52
  • Number of elements: 5
  • Element list: ['Fe', 'P', 'N', 'O', 'F']
  • Chemical System: F-Fe-N-O-P
  • Density: 2.670777302537685
  • Atomic Density: 0.06676668072349544
  • Unit Cell Volume: 778.8315883988676
  • Molar Volume: 9.019679718600699
  • Full Formula: Fe8 P4 N6 O16 F18
  • Reduced Formula: Fe4P2N3O8F9
  • Formula Anonymous: A2B3C4D8E9
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -325.61985713
  • Final energy per atom: -6.261920329423077
  • 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.