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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105877

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-1105877
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Si', 'Ni', 'H', 'O']
  • Chemical System: H-Ni-O-Si
  • Density: 3.413558811493067
  • Atomic Density: 0.09730386666101588
  • Unit Cell Volume: 184.98750992812884
  • Molar Volume: 6.1890045757171634
  • Full Formula: Si2 Ni3 H4 O9
  • Reduced Formula: Si2Ni3H4O9
  • Formula Anonymous: A2B3C4D9
  • Spacegroup Number: 157
  • Spacegroup Symbol: P31m
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -121.45268874
  • Final energy per atom: -6.7473715966666665
  • 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.