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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194692

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-1194692
  • 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: 132
  • Number of elements: 5
  • Element list: ['Na', 'Zr', 'Si', 'H', 'O']
  • Chemical System: H-Na-O-Si-Zr
  • Density: 2.5044906694418665
  • Atomic Density: 0.08298728515744941
  • Unit Cell Volume: 1590.6051119705887
  • Molar Volume: 7.25670293777458
  • Full Formula: Na8 Zr4 Si24 H24 O72
  • Reduced Formula: Na2ZrSi6(HO3)6
  • Formula Anonymous: AB2C6D6E18
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -966.53686822
  • Final energy per atom: -7.322249001666666
  • 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.