Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-694964

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-694964
  • 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: 54
  • Number of elements: 5
  • Element list: ['Na', 'Mn', 'Al', 'Si', 'O']
  • Chemical System: Al-Mn-Na-O-Si
  • Density: 2.410868896109782
  • Atomic Density: 0.06900366488938675
  • Unit Cell Volume: 782.5671301163828
  • Molar Volume: 8.727276688352024
  • Full Formula: Na8 Mn2 Al6 Si6 O32
  • Reduced Formula: Na4MnAl3Si3O16
  • Formula Anonymous: AB3C3D4E16
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -391.8160043
  • Final energy per atom: -7.255851931481481
  • 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.