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  1. Third-Parties
  2. MatprojStructure
  3. mp-1075954

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-1075954
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['La', 'Sm', 'Cr', 'Fe', 'O']
  • Chemical System: Cr-Fe-La-O-Sm
  • Density: 6.705220600004005
  • Atomic Density: 0.08285536409484612
  • Unit Cell Volume: 482.7689846877172
  • Molar Volume: 7.268256950879294
  • Full Formula: La5 Sm3 Cr7 Fe1 O24
  • Reduced Formula: La5Sm3Cr7FeO24
  • Formula Anonymous: AB3C5D7E24
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -354.17118399000003
  • Final energy per atom: -8.85427959975
  • 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.