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  1. Third-Parties
  2. MatprojStructure
  3. mp-694981

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-694981
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 6
  • Element list: ['Na', 'Al', 'Si', 'B', 'H', 'O']
  • Chemical System: Al-B-H-Na-O-Si
  • Density: 2.122819484896894
  • Atomic Density: 0.07438985747010235
  • Unit Cell Volume: 725.9054101791077
  • Molar Volume: 8.095378812118748
  • Full Formula: Na8 Al6 Si6 B2 H8 O24
  • Reduced Formula: Na4Al3Si3B(HO3)4
  • Formula Anonymous: AB3C3D4E4F12
  • Spacegroup Number: 218
  • Spacegroup Symbol: P-43n
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -363.86048339
  • Final energy per atom: -6.738157099814815
  • 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.