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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224760

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-1224760
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 4
  • Element list: ['Fe', 'As', 'S', 'O']
  • Chemical System: As-Fe-O-S
  • Density: 3.094781618953355
  • Atomic Density: 0.06680534241045313
  • Unit Cell Volume: 194.59521545638947
  • Molar Volume: 9.014459836160809
  • Full Formula: Fe2 As1 S1 O9
  • Reduced Formula: Fe2AsSO9
  • Formula Anonymous: ABC2D9
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -90.33487784
  • Final energy per atom: -6.948836756923077
  • 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.