Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1221336

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-1221336
  • 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: 100
  • Number of elements: 5
  • Element list: ['Na', 'Li', 'Mg', 'Si', 'O']
  • Chemical System: Li-Mg-Na-O-Si
  • Density: 2.4911321746673964
  • Atomic Density: 0.07575683363631934
  • Unit Cell Volume: 1320.0129308474425
  • Molar Volume: 7.9493036745834456
  • Full Formula: Na6 Li2 Mg8 Si24 O60
  • Reduced Formula: Na3LiMg4(Si2O5)6
  • Formula Anonymous: AB3C4D12E30
  • Spacegroup Number: 37
  • Spacegroup Symbol: Ccc2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -764.14527979
  • Final energy per atom: -7.6414527979
  • 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.