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  1. Third-Parties
  2. MatprojStructure
  3. mp-535042

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-535042
  • 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', 'Ge', 'B', 'H', 'O']
  • Chemical System: Al-B-Ge-H-Na-O
  • Density: 2.5996991428471787
  • Atomic Density: 0.07072681644625017
  • Unit Cell Volume: 763.5010695135422
  • Molar Volume: 8.514649835224251
  • Full Formula: Na8 Al6 Ge6 B2 H8 O24
  • Reduced Formula: Na4Al3Ge3B(HO3)4
  • Formula Anonymous: AB3C3D4E4F12
  • Spacegroup Number: 218
  • Spacegroup Symbol: P-43n
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -337.72615219
  • Final energy per atom: -6.254188003518518
  • 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.