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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221121

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-1221121
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Na', 'Si', 'H', 'O']
  • Chemical System: H-Na-O-Si
  • Density: 1.8754334493089284
  • Atomic Density: 0.0949034898786138
  • Unit Cell Volume: 758.6654620614217
  • Molar Volume: 6.3455419476171135
  • Full Formula: Na4 Si8 H28 O32
  • Reduced Formula: NaSi2H7O8
  • Formula Anonymous: AB2C7D8
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -445.62849074
  • Final energy per atom: -6.189284593611111
  • 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.