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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195770

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-1195770
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Li', 'Zr', 'As', 'O']
  • Chemical System: As-Li-O-Zr
  • Density: 3.542044140679107
  • Atomic Density: 0.06334315678948567
  • Unit Cell Volume: 568.3329001054087
  • Molar Volume: 9.507168674927195
  • Full Formula: Li2 Zr4 As6 O24
  • Reduced Formula: LiZr2(AsO4)3
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -274.50246665
  • Final energy per atom: -7.625068518055555
  • 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.