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  1. Third-Parties
  2. MatprojStructure
  3. mp-534773

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-534773
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 105
  • Number of elements: 6
  • Element list: ['Na', 'Al', 'Si', 'B', 'H', 'O']
  • Chemical System: Al-B-H-Na-O-Si
  • Density: 2.999832420266012
  • Atomic Density: 0.10050732648596793
  • Unit Cell Volume: 1044.6999604019843
  • Molar Volume: 5.991743060483024
  • Full Formula: Na2 Al17 Si11 B7 H6 O62
  • Reduced Formula: Na2Al17Si11B7(H3O31)2
  • Formula Anonymous: A2B6C7D11E17F62
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -822.29758831
  • Final energy per atom: -7.8314056029523815
  • 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.