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  1. Third-Parties
  2. MatprojStructure
  3. mp-1181427

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-1181427
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['Fe', 'Ag', 'As', 'S', 'N']
  • Chemical System: Ag-As-Fe-N-S
  • Density: 2.271628066909093
  • Atomic Density: 0.03943824092480521
  • Unit Cell Volume: 659.258612714822
  • Molar Volume: 15.269800626965324
  • Full Formula: Fe2 Ag2 As2 S8 N12
  • Reduced Formula: FeAgAs(S2N3)2
  • Formula Anonymous: ABCD4E6
  • Spacegroup Number: 118
  • Spacegroup Symbol: P-4n2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -151.3178713
  • Final energy per atom: -5.819918126923077
  • 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.