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  1. Third-Parties
  2. MatprojStructure
  3. mp-556641

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-556641
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 6
  • Element list: ['Na', 'Li', 'Al', 'P', 'H', 'O']
  • Chemical System: Al-H-Li-Na-O-P
  • Density: 2.6863668575260817
  • Atomic Density: 0.09553966215813492
  • Unit Cell Volume: 1423.4925781388688
  • Molar Volume: 6.303288732623212
  • Full Formula: Na16 Li8 Al8 P16 H16 O72
  • Reduced Formula: Na2LiAlP2H2O9
  • Formula Anonymous: ABC2D2E2F9
  • Spacegroup Number: 54
  • Spacegroup Symbol: Pcca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -913.15360046
  • Final energy per atom: -6.714364709264706
  • 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.