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  1. Third-Parties
  2. MatprojStructure
  3. mp-627314

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-627314
  • 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: 70
  • Number of elements: 3
  • Element list: ['Si', 'H', 'O']
  • Chemical System: H-O-Si
  • Density: 2.013179113783842
  • Atomic Density: 0.07992227911625267
  • Unit Cell Volume: 875.8508988235933
  • Molar Volume: 7.534996282125997
  • Full Formula: Si20 H20 O30
  • Reduced Formula: Si2H2O3
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -433.47762078000005
  • Final energy per atom: -6.192537439714286
  • 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.