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  1. Third-Parties
  2. MatprojStructure
  3. mp-1019531

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-1019531
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Ba', 'Al', 'Si', 'N', 'O']
  • Chemical System: Al-Ba-N-O-Si
  • Density: 3.4748808794036643
  • Atomic Density: 0.07406183009051745
  • Unit Cell Volume: 378.0624913775253
  • Molar Volume: 8.131234068399085
  • Full Formula: Ba2 Al4 Si6 N8 O8
  • Reduced Formula: BaAl2Si3(NO)4
  • Formula Anonymous: AB2C3D4E4
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -224.37121442
  • Final energy per atom: -8.013257657857142
  • 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.