Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-542563

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-542563
  • 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: 60
  • Number of elements: 5
  • Element list: ['Na', 'Mg', 'Al', 'Mo', 'O']
  • Chemical System: Al-Mg-Mo-Na-O
  • Density: 3.558705697134117
  • Atomic Density: 0.06968878210431122
  • Unit Cell Volume: 860.9707070241391
  • Molar Volume: 8.641477979893478
  • Full Formula: Na2 Mg6 Al2 Mo10 O40
  • Reduced Formula: NaMg3Al(MoO4)5
  • Formula Anonymous: ABC3D5E20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -469.02620075
  • Final energy per atom: -7.817103345833333
  • 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.