Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1222261

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-1222261
  • 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: 58
  • Number of elements: 5
  • Element list: ['Mg', 'Al', 'Fe', 'Si', 'O']
  • Chemical System: Al-Fe-Mg-O-Si
  • Density: 2.475500865959815
  • Atomic Density: 0.07196773392353356
  • Unit Cell Volume: 805.9167190344715
  • Molar Volume: 8.367834349763722
  • Full Formula: Mg3 Al8 Fe1 Si10 O36
  • Reduced Formula: Mg3Al8Fe(Si5O18)2
  • Formula Anonymous: AB3C8D10E36
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -465.59162594
  • Final energy per atom: -8.027441826551724
  • 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.