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  1. Third-Parties
  2. MatprojStructure
  3. mp-738361

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-738361
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 3
  • Element list: ['Si', 'C', 'O']
  • Chemical System: C-O-Si
  • Density: 1.7124612261557361
  • Atomic Density: 0.05189053268139262
  • Unit Cell Volume: 2004.219163417709
  • Molar Volume: 11.60547107306816
  • Full Formula: Si34 C2 O68
  • Reduced Formula: Si17CO34
  • Formula Anonymous: AB17C34
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -855.1724476900001
  • Final energy per atom: -8.222811997019232
  • 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.