Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1202424

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-1202424
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Li', 'La', 'Si', 'N']
  • Chemical System: La-Li-N-Si
  • Density: 4.881440065965761
  • Atomic Density: 0.07570059955362143
  • Unit Cell Volume: 686.9166202992427
  • Molar Volume: 7.955208803510602
  • Full Formula: Li10 La10 Si8 N24
  • Reduced Formula: Li5La5(SiN3)4
  • Formula Anonymous: A4B5C5D12
  • Spacegroup Number: 117
  • Spacegroup Symbol: P-4b2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -383.46373718
  • Final energy per atom: -7.374302638076923
  • 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.