Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-728912

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-728912
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 116
  • Number of elements: 4
  • Element list: ['Na', 'Zr', 'Si', 'O']
  • Chemical System: Na-O-Si-Zr
  • Density: 2.6200983500185786
  • Atomic Density: 0.07153196228230597
  • Unit Cell Volume: 1621.6527031957792
  • Molar Volume: 8.418811071103004
  • Full Formula: Na16 Zr4 Si24 O72
  • Reduced Formula: Na4Zr(SiO3)6
  • Formula Anonymous: AB4C6D18
  • Spacegroup Number: 30
  • Spacegroup Symbol: Pnc2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -854.2500369300001
  • Final energy per atom: -7.364224456293104
  • 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.