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  1. Third-Parties
  2. MatprojStructure
  3. mp-1249626

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-1249626
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 5
  • Element list: ['Na', 'Al', 'Si', 'H', 'O']
  • Chemical System: Al-H-Na-O-Si
  • Density: 2.169341057004601
  • Atomic Density: 0.07714282412805423
  • Unit Cell Volume: 1348.1487251149097
  • Molar Volume: 7.806482103900513
  • Full Formula: Na8 Al8 Si16 H16 O56
  • Reduced Formula: NaAlSi2H2O7
  • Formula Anonymous: ABC2D2E7
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -742.88025822
  • Final energy per atom: -7.143079405961538
  • 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.