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  1. Third-Parties
  2. MatprojStructure
  3. mp-555589

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-555589
  • 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: 92
  • Number of elements: 3
  • Element list: ['Fe', 'Se', 'O']
  • Chemical System: Fe-O-Se
  • Density: 3.5694642601679796
  • Atomic Density: 0.059895713086560345
  • Unit Cell Volume: 1536.0030836771748
  • Molar Volume: 10.05437693228044
  • Full Formula: Fe8 Se24 O60
  • Reduced Formula: Fe2(Se2O5)3
  • Formula Anonymous: A2B6C15
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -569.51640028
  • Final energy per atom: -6.190395655217391
  • 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.