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  1. Third-Parties
  2. MatprojStructure
  3. mp-556875

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-556875
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 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: 6.187715033447248
  • Atomic Density: 0.040605595711426176
  • Unit Cell Volume: 591.0515430080624
  • Molar Volume: 14.830814951707275
  • Full Formula: La8 Fe2 Se12 O2
  • Reduced Formula: La4FeSe6O
  • Formula Anonymous: ABC4D6
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -161.88274848
  • Final energy per atom: -6.7451145200000004
  • 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.