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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227111

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-1227111
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Ca', 'La', 'Al', 'O']
  • Chemical System: Al-Ca-La-O
  • Density: 3.8497856300341855
  • Atomic Density: 0.07480224374845364
  • Unit Cell Volume: 320.84599067252105
  • Molar Volume: 8.05074882546487
  • Full Formula: Ca2 La2 Al6 O14
  • Reduced Formula: CaLaAl3O7
  • Formula Anonymous: ABC3D7
  • Spacegroup Number: 35
  • Spacegroup Symbol: Cmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -191.36645614
  • Final energy per atom: -7.973602339166667
  • 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.