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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173789

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-1173789
  • 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: 54
  • Number of elements: 5
  • Element list: ['Na', 'Al', 'Si', 'H', 'O']
  • Chemical System: Al-H-Na-O-Si
  • Density: 2.050882043624169
  • Atomic Density: 0.06887354518402626
  • Unit Cell Volume: 784.045599158792
  • Molar Volume: 8.743764741468118
  • Full Formula: Na8 Al6 Si6 H6 O28
  • Reduced Formula: Na4Al3Si3H3O14
  • Formula Anonymous: A3B3C3D4E14
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -366.09817495
  • Final energy per atom: -6.7795958324074075
  • 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.