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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227693

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-1227693
  • 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: 117
  • Number of elements: 4
  • Element list: ['Be', 'Al', 'Si', 'O']
  • Chemical System: Al-Be-O-Si
  • Density: 2.5882958187479406
  • Atomic Density: 0.08419588782101266
  • Unit Cell Volume: 1389.6165600002196
  • Molar Volume: 7.152535492947273
  • Full Formula: Be12 Al8 Si24 O73
  • Reduced Formula: Be12Al8Si24O73
  • Formula Anonymous: A8B12C24D73
  • Spacegroup Number: 23
  • Spacegroup Symbol: I222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -942.2992788499998
  • Final energy per atom: -8.053839990170939
  • 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.