Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1221210

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-1221210
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 5
  • Element list: ['Na', 'Al', 'Si', 'Cl', 'O']
  • Chemical System: Al-Cl-Na-O-Si
  • Density: 2.214657373159833
  • Atomic Density: 0.06329894979084047
  • Unit Cell Volume: 363.3551595405484
  • Molar Volume: 9.513808333154085
  • Full Formula: Na4 Al3 Si3 Cl1 O12
  • Reduced Formula: Na4Al3Si3ClO12
  • Formula Anonymous: AB3C3D4E12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -164.41479217
  • Final energy per atom: -7.148469224782609
  • 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.