Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1173868

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-1173868
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 5
  • Element list: ['Na', 'Mg', 'Al', 'Si', 'O']
  • Chemical System: Al-Mg-Na-O-Si
  • Density: 3.18169708347937
  • Atomic Density: 0.09509776632381746
  • Unit Cell Volume: 1261.8592911150818
  • Molar Volume: 6.332578558674033
  • Full Formula: Na12 Mg5 Al2 Si29 O72
  • Reduced Formula: Na12Mg5Al2Si29O72
  • Formula Anonymous: A2B5C12D29E72
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -913.20308321
  • Final energy per atom: -7.6100256934166675
  • 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.