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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199781

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-1199781
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 336
  • Number of elements: 3
  • Element list: ['Si', 'H', 'O']
  • Chemical System: H-O-Si
  • Density: 1.6836701639352405
  • Atomic Density: 0.06684092630427883
  • Unit Cell Volume: 5026.860317142117
  • Molar Volume: 9.009660836514307
  • Full Formula: Si96 H96 O144
  • Reduced Formula: Si2H2O3
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -2274.0172393000003
  • Final energy per atom: -6.76790845029762
  • 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.