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  1. Third-Parties
  2. MatprojStructure
  3. mp-686614

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-686614
  • 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: 84
  • Number of elements: 5
  • Element list: ['Ta', 'Ti', 'Al', 'Zn', 'O']
  • Chemical System: Al-O-Ta-Ti-Zn
  • Density: 5.260395757501385
  • Atomic Density: 0.08974558965961761
  • Unit Cell Volume: 935.9791419120518
  • Molar Volume: 6.710235882164752
  • Full Formula: Ta1 Ti9 Al3 Zn23 O48
  • Reduced Formula: TaTi9Al3Zn23O48
  • Formula Anonymous: AB3C9D23E48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -571.24777031
  • Final energy per atom: -6.8005686941666665
  • 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.