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  1. Third-Parties
  2. MatprojStructure
  3. mp-972066

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-972066
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Zr', 'Al', 'O']
  • Chemical System: Al-O-Zr
  • Density: 5.572820739004825
  • Atomic Density: 0.10096135987921756
  • Unit Cell Volume: 49.523897122439884
  • Molar Volume: 5.964797589101838
  • Full Formula: Zr1 Al1 O3
  • Reduced Formula: ZrAlO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -41.86842709
  • Final energy per atom: -8.373685417999999
  • 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.