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  1. Third-Parties
  2. MatprojStructure
  3. mp-531590

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-531590
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 114
  • Number of elements: 3
  • Element list: ['Sr', 'Al', 'O']
  • Chemical System: Al-O-Sr
  • Density: 3.2258475293959585
  • Atomic Density: 0.09037845827268913
  • Unit Cell Volume: 1261.36252132162
  • Molar Volume: 6.663247941041489
  • Full Formula: Sr2 Al44 O68
  • Reduced Formula: SrAl22O34
  • Formula Anonymous: AB22C34
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -894.64601516
  • Final energy per atom: -7.847772062807018
  • 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.