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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203355

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-1203355
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 168
  • Number of elements: 6
  • Element list: ['K', 'Na', 'Al', 'Si', 'H', 'O']
  • Chemical System: Al-H-K-Na-O-Si
  • Density: 2.760959898896188
  • Atomic Density: 0.08947117104481028
  • Unit Cell Volume: 1877.6998002614691
  • Molar Volume: 6.730816965594316
  • Full Formula: K4 Na4 Al24 Si24 H16 O96
  • Reduced Formula: KNaAl6Si6(HO6)4
  • Formula Anonymous: ABC4D6E6F24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -1262.37880228
  • Final energy per atom: -7.514159537380952
  • 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.