Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-530986

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-530986
  • 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: 160
  • Number of elements: 3
  • Element list: ['Mg', 'Si', 'O']
  • Chemical System: Mg-O-Si
  • Density: 3.423695517262833
  • Atomic Density: 0.10269072281772212
  • Unit Cell Volume: 1558.076480618438
  • Molar Volume: 5.864347425706028
  • Full Formula: Mg32 Si32 O96
  • Reduced Formula: MgSiO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -1198.23374226
  • Final energy per atom: -7.488960889125001
  • 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.