Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1173841

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-1173841
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 5
  • Element list: ['Na', 'Zn', 'Ga', 'Si', 'O']
  • Chemical System: Ga-Na-O-Si-Zn
  • Density: 3.202729839513281
  • Atomic Density: 0.07518836498684252
  • Unit Cell Volume: 824.5956673063658
  • Molar Volume: 8.009405126782363
  • Full Formula: Na14 Zn6 Ga2 Si8 O32
  • Reduced Formula: Na7Zn3Ga(SiO4)4
  • Formula Anonymous: AB3C4D7E16
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -385.11929821
  • Final energy per atom: -6.211601584032258
  • 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.