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  1. Third-Parties
  2. MatprojStructure
  3. mp-684810

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-684810
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 39
  • Number of elements: 6
  • Element list: ['Ba', 'Sm', 'Al', 'Si', 'N', 'O']
  • Chemical System: Al-Ba-N-O-Si-Sm
  • Density: 5.152262165094041
  • Atomic Density: 0.07966415890888019
  • Unit Cell Volume: 489.5551592355123
  • Molar Volume: 7.559410458206331
  • Full Formula: Ba1 Sm5 Al3 Si9 N20 O1
  • Reduced Formula: BaSm5Al3Si9N20O
  • Formula Anonymous: ABC3D5E9F20
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -318.20604966
  • Final energy per atom: -8.159129478461539
  • 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.