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  1. Third-Parties
  2. MatprojStructure
  3. mp-733539

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-733539
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 4
  • Element list: ['Na', 'Zr', 'Si', 'O']
  • Chemical System: Na-O-Si-Zr
  • Density: 2.4944971251544694
  • Atomic Density: 0.0683166288871497
  • Unit Cell Volume: 1580.8742579848622
  • Molar Volume: 8.815043801338328
  • Full Formula: Na8 Zr4 Si24 O72
  • Reduced Formula: Na2Zr(SiO3)6
  • Formula Anonymous: AB2C6D18
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -792.68902427
  • Final energy per atom: -7.339713187685185
  • 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.