Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1221930

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-1221930
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 5
  • Element list: ['Mn', 'Al', 'Fe', 'Si', 'O']
  • Chemical System: Al-Fe-Mn-O-Si
  • Density: 4.085223793324964
  • Atomic Density: 0.09925946660006824
  • Unit Cell Volume: 805.9684656812875
  • Molar Volume: 6.067069435567429
  • Full Formula: Mn9 Al8 Fe3 Si12 O48
  • Reduced Formula: Mn9Al8Fe3(SiO4)12
  • Formula Anonymous: A3B8C9D12E48
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -673.4947955999999
  • Final energy per atom: -8.418684944999999
  • 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.