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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225202

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-1225202
  • 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: 23
  • Number of elements: 4
  • Element list: ['Fe', 'P', 'S', 'N']
  • Chemical System: Fe-N-P-S
  • Density: 4.3854852851182216
  • Atomic Density: 0.09968200675820886
  • Unit Cell Volume: 230.7337176285924
  • Molar Volume: 6.041351850597725
  • Full Formula: Fe4 P6 S1 N12
  • Reduced Formula: Fe4P6SN12
  • Formula Anonymous: AB4C6D12
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -159.46495506
  • Final energy per atom: -6.933258915652174
  • 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.