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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227187

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-1227187
  • 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: 30
  • Number of elements: 4
  • Element list: ['Ca', 'La', 'Mn', 'O']
  • Chemical System: Ca-La-Mn-O
  • Density: 5.806012895728798
  • Atomic Density: 0.08368778516180958
  • Unit Cell Volume: 358.4752534912385
  • Molar Volume: 7.1959614516697314
  • Full Formula: Ca2 La4 Mn6 O18
  • Reduced Formula: CaLa2Mn3O9
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 165
  • Spacegroup Symbol: P-3c1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -253.38148221
  • Final energy per atom: -8.446049407
  • 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.