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  1. Third-Parties
  2. MatprojStructure
  3. mp-695202

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-695202
  • 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: 59
  • Number of elements: 5
  • Element list: ['Mg', 'Al', 'Cu', 'Si', 'O']
  • Chemical System: Al-Cu-Mg-O-Si
  • Density: 2.5551238799447193
  • Atomic Density: 0.07366846139173916
  • Unit Cell Volume: 800.8854655761276
  • Molar Volume: 8.174652553114532
  • Full Formula: Mg4 Al9 Cu1 Si9 O36
  • Reduced Formula: Mg4Al9Cu(SiO4)9
  • Formula Anonymous: AB4C9D9E36
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -462.34903723
  • Final energy per atom: -7.836424359830509
  • 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.