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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222471

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-1222471
  • 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: 68
  • Number of elements: 6
  • Element list: ['Mg', 'Ti', 'Al', 'Si', 'H', 'O']
  • Chemical System: Al-H-Mg-O-Si-Ti
  • Density: 3.0582525031327723
  • Atomic Density: 0.1026015954017596
  • Unit Cell Volume: 662.7577254888749
  • Molar Volume: 5.869441636281536
  • Full Formula: Mg7 Ti1 Al6 Si8 H8 O38
  • Reduced Formula: Mg7TiAl6Si8(H4O19)2
  • Formula Anonymous: AB6C7D8E8F38
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -499.0698968
  • Final energy per atom: -7.339263188235294
  • 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.