Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1203545

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-1203545
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 5
  • Element list: ['Na', 'Al', 'Si', 'N', 'O']
  • Chemical System: Al-N-Na-O-Si
  • Density: 2.142029724854497
  • Atomic Density: 0.0655135489603778
  • Unit Cell Volume: 1343.2335966598584
  • Molar Volume: 9.192206582553107
  • Full Formula: Na8 Al12 Si12 N4 O52
  • Reduced Formula: Na2Al3Si3NO13
  • Formula Anonymous: AB2C3D3E13
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -629.5202179300001
  • Final energy per atom: -7.153638840113637
  • 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.