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  1. Third-Parties
  2. MatprojStructure
  3. mp-698132

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-698132
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Al', 'Si', 'H', 'O']
  • Chemical System: Al-H-O-Si
  • Density: 2.4888536377897794
  • Atomic Density: 0.0986982594212895
  • Unit Cell Volume: 344.48429181382403
  • Molar Volume: 6.101567337975777
  • Full Formula: Al4 Si4 H8 O18
  • Reduced Formula: Al2Si2H4O9
  • Formula Anonymous: A2B2C4D9
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -241.59116171
  • Final energy per atom: -7.105622403235294
  • 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.