Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-530546

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-530546
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 162
  • Number of elements: 2
  • Element list: ['Si', 'O']
  • Chemical System: O-Si
  • Density: 1.6368751505638435
  • Atomic Density: 0.049218311106136864
  • Unit Cell Volume: 3291.457922045618
  • Molar Volume: 12.23556969887396
  • Full Formula: Si54 O108
  • Reduced Formula: SiO2
  • Formula Anonymous: AB2
  • Spacegroup Number: 175
  • Spacegroup Symbol: P6/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -1354.7552693000002
  • Final energy per atom: -8.362686847530865
  • 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.