Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-556257

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-556257
  • 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: 144
  • Number of elements: 2
  • Element list: ['Si', 'O']
  • Chemical System: O-Si
  • Density: 1.797068970772596
  • Atomic Density: 0.05403509220126133
  • Unit Cell Volume: 2664.9348438909233
  • Molar Volume: 11.14486996259706
  • Full Formula: Si48 O96
  • Reduced Formula: SiO2
  • Formula Anonymous: AB2
  • Spacegroup Number: 228
  • Spacegroup Symbol: Fd-3c1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -1146.38326068
  • Final energy per atom: -7.9609948658333325
  • 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.