Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1250639

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-1250639
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 360
  • Number of elements: 2
  • Element list: ['Si', 'O']
  • Chemical System: O-Si
  • Density: 1.7156107918917545
  • Atomic Density: 0.0515857704011744
  • Unit Cell Volume: 6978.668675495912
  • Molar Volume: 11.674034744788653
  • Full Formula: Si120 O240
  • Reduced Formula: SiO2
  • Formula Anonymous: AB2
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -3011.40907361
  • Final energy per atom: -8.365025204472223
  • 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.