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  1. Third-Parties
  2. MatprojStructure
  3. mp-41963

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-41963
  • 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: 20
  • Number of elements: 5
  • Element list: ['Ca', 'La', 'Mn', 'Fe', 'O']
  • Chemical System: Ca-Fe-La-Mn-O
  • Density: 5.4939405282399525
  • Atomic Density: 0.0857658471384252
  • Unit Cell Volume: 233.19305606251643
  • Molar Volume: 7.021607039315226
  • Full Formula: Ca2 La2 Mn2 Fe2 O12
  • Reduced Formula: CaLaMnFeO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -162.48064367
  • Final energy per atom: -8.1240321835
  • 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.