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  1. Third-Parties
  2. MatprojStructure
  3. mp-534863

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-534863
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 6
  • Element list: ['Ca', 'Mg', 'Ti', 'Al', 'Si', 'O']
  • Chemical System: Al-Ca-Mg-O-Si-Ti
  • Density: 3.2724275607140942
  • Atomic Density: 0.08848955990457902
  • Unit Cell Volume: 768.4522340638429
  • Molar Volume: 6.805481648336659
  • Full Formula: Ca4 Mg8 Ti4 Al8 Si4 O40
  • Reduced Formula: CaMg2TiAl2SiO10
  • Formula Anonymous: ABCD2E2F10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -531.93553032
  • Final energy per atom: -7.8225813282352945
  • 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.