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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197684

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-1197684
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['Na', 'Al', 'H', 'O']
  • Chemical System: Al-H-Na-O
  • Density: 2.133931707890366
  • Atomic Density: 0.10170125792334457
  • Unit Cell Volume: 865.2793662230645
  • Molar Volume: 5.921402431953277
  • Full Formula: Na20 Al4 H32 O32
  • Reduced Formula: Na5Al(HO)8
  • Formula Anonymous: AB5C8D8
  • Spacegroup Number: 96
  • Spacegroup Symbol: P4_32_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -459.81134415
  • Final energy per atom: -5.225128910795455
  • 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.