Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-761922

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-761922
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Li', 'Nb', 'Te', 'O']
  • Chemical System: Li-Nb-O-Te
  • Density: 5.447376139058824
  • Atomic Density: 0.08266372752776778
  • Unit Cell Volume: 411.30494615765997
  • Molar Volume: 7.285106708957792
  • Full Formula: Li2 Nb2 Te6 O24
  • Reduced Formula: LiNb(TeO4)3
  • Formula Anonymous: ABC3D12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -222.62186984
  • Final energy per atom: -6.5477020541176465
  • 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.