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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227528

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-1227528
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 59
  • Number of elements: 4
  • Element list: ['Be', 'Al', 'Si', 'O']
  • Chemical System: Al-Be-O-Si
  • Density: 2.604828267449517
  • Atomic Density: 0.08483128528596053
  • Unit Cell Volume: 695.498126677145
  • Molar Volume: 7.098962062993353
  • Full Formula: Be6 Al4 Si12 O37
  • Reduced Formula: Be6Al4Si12O37
  • Formula Anonymous: A4B6C12D37
  • Spacegroup Number: 177
  • Spacegroup Symbol: P622
  • Crystal System: hexagonal
  • Pointgroup: 622

Thermodynamics:

  • Final energy: -472.82006765
  • Final energy per atom: -8.013899451694915
  • 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.