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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222973

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-1222973
  • 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: 36
  • Number of elements: 5
  • Element list: ['Mg', 'Al', 'Si', 'H', 'O']
  • Chemical System: Al-H-Mg-O-Si
  • Density: 2.632017117458241
  • Atomic Density: 0.10237610942243978
  • Unit Cell Volume: 351.6445409294795
  • Molar Volume: 5.882369230452519
  • Full Formula: Mg4 Al4 Si2 H8 O18
  • Reduced Formula: Mg2Al2SiH4O9
  • Formula Anonymous: AB2C2D4E9
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -244.67923805
  • Final energy per atom: -6.796645501388889
  • 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.