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  1. Third-Parties
  2. MatprojStructure
  3. mp-557414

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-557414
  • 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: 16
  • Number of elements: 4
  • Element list: ['Ba', 'Si', 'N', 'O']
  • Chemical System: Ba-N-O-Si
  • Density: 3.693806914650895
  • Atomic Density: 0.08202805830184405
  • Unit Cell Volume: 195.05520831815556
  • Molar Volume: 7.341562002894097
  • Full Formula: Ba1 Si6 N8 O1
  • Reduced Formula: BaSi6N8O
  • Formula Anonymous: ABC6D8
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -131.02457226
  • Final energy per atom: -8.18903576625
  • 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.