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  1. Third-Parties
  2. MatprojStructure
  3. mp-727940

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-727940
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['Be', 'Al', 'Si', 'O']
  • Chemical System: Al-Be-O-Si
  • Density: 2.6397364697817847
  • Atomic Density: 0.0861616773161903
  • Unit Cell Volume: 696.3652736217756
  • Molar Volume: 6.98934949687708
  • Full Formula: Be6 Al4 Si12 O38
  • Reduced Formula: Be3Al2Si6O19
  • Formula Anonymous: A2B3C6D19
  • Spacegroup Number: 192
  • Spacegroup Symbol: P6/mcc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -475.34048964
  • Final energy per atom: -7.922341493999999
  • 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.