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  1. Third-Parties
  2. MatprojStructure
  3. mp-6782

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-6782
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Li', 'Zr', 'Te', 'O']
  • Chemical System: Li-O-Te-Zr
  • Density: 4.888719201765653
  • Atomic Density: 0.08956598789458682
  • Unit Cell Volume: 111.64952494879341
  • Molar Volume: 6.723691550287658
  • Full Formula: Li2 Zr1 Te1 O6
  • Reduced Formula: Li2ZrTeO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -70.16326739
  • Final energy per atom: -7.016326739
  • 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.