Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-768083

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-768083
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Li', 'La', 'Nb', 'O']
  • Chemical System: La-Li-Nb-O
  • Density: 4.527211895779843
  • Atomic Density: 0.07198031774703421
  • Unit Cell Volume: 889.1319461094901
  • Molar Volume: 8.36637145888138
  • Full Formula: Li5 La3 Nb14 O42
  • Reduced Formula: Li5La3Nb14O42
  • Formula Anonymous: A3B5C14D42
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -568.4371562800001
  • Final energy per atom: -8.881830566875001
  • 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.