Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-695074

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-695074
  • 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: 56
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Al', 'Si', 'O']
  • Chemical System: Al-K-Na-O-Si
  • Density: 2.5502071434364377
  • Atomic Density: 0.0735917380933686
  • Unit Cell Volume: 760.9549855848044
  • Molar Volume: 8.183175062884755
  • Full Formula: K2 Na6 Al8 Si8 O32
  • Reduced Formula: KNa3Al4(SiO4)4
  • Formula Anonymous: AB3C4D4E16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -418.05643019
  • Final energy per atom: -7.46529339625
  • 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.