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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214519

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-1214519
  • 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: 54
  • Number of elements: 4
  • Element list: ['Ba', 'Y', 'Al', 'O']
  • Chemical System: Al-Ba-O-Y
  • Density: 5.088311826570621
  • Atomic Density: 0.06129909741545926
  • Unit Cell Volume: 880.9265107773272
  • Molar Volume: 9.824191568734669
  • Full Formula: Ba12 Y4 Al8 O30
  • Reduced Formula: Ba6Y2Al4O15
  • Formula Anonymous: A2B4C6D15
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -411.30499342
  • Final energy per atom: -7.616759137407407
  • 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.