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  1. Third-Parties
  2. MatprojStructure
  3. mp-757779

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-757779
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 89
  • Number of elements: 3
  • Element list: ['La', 'Ta', 'O']
  • Chemical System: La-O-Ta
  • Density: 7.8666377328895924
  • Atomic Density: 0.07439616057270941
  • Unit Cell Volume: 1196.2982943591269
  • Molar Volume: 8.094692943346715
  • Full Formula: La5 Ta22 O62
  • Reduced Formula: La5Ta22O62
  • Formula Anonymous: A5B22C62
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -899.52613536
  • Final energy per atom: -10.107035228764046
  • 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.