Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-684265

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-684265
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 4
  • Element list: ['Mg', 'Al', 'Si', 'O']
  • Chemical System: Al-Mg-O-Si
  • Density: 2.4248307422815425
  • Atomic Density: 0.07239514883765512
  • Unit Cell Volume: 801.1586540151193
  • Molar Volume: 8.318431354433082
  • Full Formula: Mg4 Al8 Si10 O36
  • Reduced Formula: Mg2Al4Si5O18
  • Formula Anonymous: A2B4C5D18
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -460.68287676000006
  • Final energy per atom: -7.942808220000001
  • 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.