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  1. Third-Parties
  2. MatprojStructure
  3. mp-43030

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-43030
  • 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: 46
  • Number of elements: 6
  • Element list: ['Na', 'Li', 'Al', 'Si', 'Cl', 'O']
  • Chemical System: Al-Cl-Li-Na-O-Si
  • Density: 2.247225981374455
  • Atomic Density: 0.06878579930030587
  • Unit Cell Volume: 668.7426833432966
  • Molar Volume: 8.754918633290085
  • Full Formula: Na4 Li4 Al6 Si6 Cl2 O24
  • Reduced Formula: Na2Li2Al3Si3ClO12
  • Formula Anonymous: AB2C2D3E3F12
  • Spacegroup Number: 81
  • Spacegroup Symbol: P-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -333.07285865
  • Final energy per atom: -7.240714318478261
  • 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.