Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-758389

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-758389
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 4
  • Element list: ['Li', 'Nb', 'Te', 'O']
  • Chemical System: Li-Nb-O-Te
  • Density: 4.957870096575471
  • Atomic Density: 0.07523549178893167
  • Unit Cell Volume: 225.9571858411241
  • Molar Volume: 8.004388110992519
  • Full Formula: Li1 Nb1 Te3 O12
  • Reduced Formula: LiNb(TeO4)3
  • Formula Anonymous: ABC3D12
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -111.45600275
  • Final energy per atom: -6.556235455882352
  • 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.