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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224323

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-1224323
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 6
  • Element list: ['K', 'Na', 'Al', 'H', 'S', 'O']
  • Chemical System: Al-H-K-Na-O-S
  • Density: 2.7260302819152713
  • Atomic Density: 0.1061420898122065
  • Unit Cell Volume: 979.8186580272121
  • Molar Volume: 5.6736594979944
  • Full Formula: K1 Na3 Al12 H24 S8 O56
  • Reduced Formula: KNa3Al12H24(SO7)8
  • Formula Anonymous: AB3C8D12E24F56
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -670.57006802
  • Final energy per atom: -6.447789115576923
  • 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.