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  1. Third-Parties
  2. MatprojStructure
  3. mp-677670

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-677670
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 5
  • Element list: ['Na', 'Al', 'Si', 'H', 'O']
  • Chemical System: Al-H-Na-O-Si
  • Density: 2.3239710601353303
  • Atomic Density: 0.08465844714503021
  • Unit Cell Volume: 1086.7196730220296
  • Molar Volume: 7.113455258260692
  • Full Formula: Na8 Al8 Si12 H16 O48
  • Reduced Formula: Na2Al2Si3(HO3)4
  • Formula Anonymous: A2B2C3D4E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -576.60911674
  • Final energy per atom: -6.267490399347826
  • 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.