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  1. Third-Parties
  2. MatprojStructure
  3. mp-676456

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-676456
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Sr', 'La', 'Ta', 'Al', 'O']
  • Chemical System: Al-La-O-Sr-Ta
  • Density: 6.510674721037025
  • Atomic Density: 0.08408057672305859
  • Unit Cell Volume: 475.7341297949285
  • Molar Volume: 7.162344734902924
  • Full Formula: Sr6 La2 Ta3 Al5 O24
  • Reduced Formula: Sr6La2Ta3Al5O24
  • Formula Anonymous: A2B3C5D6E24
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -334.44744828
  • Final energy per atom: -8.361186207
  • 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.