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  1. Third-Parties
  2. MatprojStructure
  3. mp-707571

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-707571
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 192
  • Number of elements: 4
  • Element list: ['Na', 'Si', 'H', 'O']
  • Chemical System: H-Na-O-Si
  • Density: 1.9697846825947953
  • Atomic Density: 0.11291320981522004
  • Unit Cell Volume: 1700.4210606908061
  • Molar Volume: 5.333424468098197
  • Full Formula: Na24 Si8 H88 O72
  • Reduced Formula: Na3SiH11O9
  • Formula Anonymous: AB3C9D11
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1049.8355149
  • Final energy per atom: -5.467893306770833
  • 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.