Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1222517

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-1222517
  • 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: 21
  • Number of elements: 5
  • Element list: ['Li', 'La', 'Si', 'N', 'O']
  • Chemical System: La-Li-N-O-Si
  • Density: 5.515946771929478
  • Atomic Density: 0.07192398063267649
  • Unit Cell Volume: 291.9749409762129
  • Molar Volume: 8.372924728340218
  • Full Formula: Li1 La5 Si4 N10 O1
  • Reduced Formula: LiLa5Si4N10O
  • Formula Anonymous: ABC4D5E10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -172.19737263
  • Final energy per atom: -8.199874887142856
  • 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.