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  1. Third-Parties
  2. MatprojStructure
  3. mp-1312000

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-1312000
  • 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: 24
  • Number of elements: 4
  • Element list: ['La', 'Fe', 'Se', 'O']
  • Chemical System: Fe-La-O-Se
  • Density: 6.160666874092095
  • Atomic Density: 0.0404280977792207
  • Unit Cell Volume: 593.6465309613345
  • Molar Volume: 14.895929046395226
  • Full Formula: La8 Fe2 Se12 O2
  • Reduced Formula: La4FeSe6O
  • Formula Anonymous: ABC4D6
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -161.89276339
  • Final energy per atom: -6.745531807916667
  • 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.