Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1234153

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-1234153
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 4
  • Element list: ['Mg', 'Al', 'Si', 'O']
  • Chemical System: Al-Mg-O-Si
  • Density: 2.212478266333039
  • Atomic Density: 0.06625204569631248
  • Unit Cell Volume: 377.3468386862426
  • Molar Volume: 9.089743111638267
  • Full Formula: Mg1 Al2 Si6 O16
  • Reduced Formula: MgAl2(Si3O8)2
  • Formula Anonymous: AB2C6D16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -200.92386822
  • Final energy per atom: -8.0369547288
  • 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.