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  1. Third-Parties
  2. MatprojStructure
  3. mp-1019516

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-1019516
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Ba', 'Ga', 'N', 'O']
  • Chemical System: Ba-Ga-N-O
  • Density: 5.609792154392832
  • Atomic Density: 0.04490752491844371
  • Unit Cell Volume: 1603.2947736656336
  • Molar Volume: 13.41009278720387
  • Full Formula: Ba32 Ga8 N24 O8
  • Reduced Formula: Ba4GaN3O
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -402.03374315
  • Final energy per atom: -5.583801988194445
  • 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.