Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1036525

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-1036525
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Mg', 'Nb', 'Al', 'O']
  • Chemical System: Al-Mg-Nb-O
  • Density: 3.783421983423511
  • Atomic Density: 0.10180818315879421
  • Unit Cell Volume: 314.31658052563756
  • Molar Volume: 5.9151834097727
  • Full Formula: Mg14 Nb1 Al1 O16
  • Reduced Formula: Mg14NbAlO16
  • Formula Anonymous: ABC14D16
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -206.07438373
  • Final energy per atom: -6.4398244915625
  • 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.