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  1. Third-Parties
  2. MatprojStructure
  3. mp-1232979

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-1232979
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 4
  • Element list: ['Li', 'Er', 'Zr', 'O']
  • Chemical System: Er-Li-O-Zr
  • Density: 7.045707891634998
  • Atomic Density: 0.07715415767936193
  • Unit Cell Volume: 298.10447928916085
  • Molar Volume: 7.805335371590571
  • Full Formula: Li1 Er4 Zr4 O14
  • Reduced Formula: LiEr4Zr4O14
  • Formula Anonymous: AB4C4D14
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -200.54952595
  • Final energy per atom: -8.719544606521739
  • 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.