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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199831

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-1199831
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 118
  • Number of elements: 4
  • Element list: ['Na', 'Al', 'H', 'O']
  • Chemical System: Al-H-Na-O
  • Density: 1.9074803100943876
  • Atomic Density: 0.10859947777036363
  • Unit Cell Volume: 1086.5613944250636
  • Molar Volume: 5.545275984414925
  • Full Formula: Na18 Al4 H54 O42
  • Reduced Formula: Na9Al2(H9O7)3
  • Formula Anonymous: A2B9C21D27
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -618.6432852
  • Final energy per atom: -5.242739705084746
  • 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.