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  1. Third-Parties
  2. MatprojStructure
  3. mp-510599

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-510599
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 5
  • Element list: ['Na', 'Al', 'Si', 'H', 'O']
  • Chemical System: Al-H-Na-O-Si
  • Density: 1.961352277582946
  • Atomic Density: 0.07144884072475122
  • Unit Cell Volume: 643.8173038693508
  • Molar Volume: 8.428605277445484
  • Full Formula: Na4 Al4 Si6 H8 O24
  • Reduced Formula: Na2Al2Si3(HO3)4
  • Formula Anonymous: A2B2C3D4E12
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -296.66897116
  • Final energy per atom: -6.44932546
  • 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.