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  1. Third-Parties
  2. MatprojStructure
  3. mp-24646

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-24646
  • 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: 36
  • Number of elements: 6
  • Element list: ['Na', 'Al', 'B', 'P', 'H', 'O']
  • Chemical System: Al-B-H-Na-O-P
  • Density: 2.7374849179140446
  • Atomic Density: 0.10384664553609713
  • Unit Cell Volume: 346.6650252798622
  • Molar Volume: 5.799071052234136
  • Full Formula: Na2 Al2 B2 P4 H6 O20
  • Reduced Formula: NaAlBP2H3O10
  • Formula Anonymous: ABCD2E3F10
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -254.34966896
  • Final energy per atom: -7.065268582222222
  • 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.