Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1222213

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-1222213
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Mg', 'Al', 'Si', 'O']
  • Chemical System: Al-Mg-O-Si
  • Density: 2.565311396149287
  • Atomic Density: 0.07874706958479925
  • Unit Cell Volume: 355.5687868467033
  • Molar Volume: 7.6474474437617275
  • Full Formula: Mg4 Al4 Si2 O18
  • Reduced Formula: Mg2Al2SiO9
  • Formula Anonymous: AB2C2D9
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -192.63927740000003
  • Final energy per atom: -6.879974192857143
  • 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.