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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215691

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-1215691
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 3
  • Element list: ['Zr', 'Al', 'O']
  • Chemical System: Al-O-Zr
  • Density: 5.453569268502735
  • Atomic Density: 0.051215676229158805
  • Unit Cell Volume: 331.9296209999338
  • Molar Volume: 11.758393529853254
  • Full Formula: Zr10 Al6 O1
  • Reduced Formula: Zr10Al6O
  • Formula Anonymous: AB6C10
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -124.85502783
  • Final energy per atom: -7.344413401764705
  • 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.