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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182852

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-1182852
  • 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: 148
  • Number of elements: 3
  • Element list: ['Bi', 'N', 'O']
  • Chemical System: Bi-N-O
  • Density: 4.953259398397415
  • Atomic Density: 0.06343359657707216
  • Unit Cell Volume: 2333.1484889112226
  • Molar Volume: 9.493613928516679
  • Full Formula: Bi24 N20 O104
  • Reduced Formula: Bi6N5O26
  • Formula Anonymous: A5B6C26
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -857.80194866
  • Final energy per atom: -5.795959112567568
  • 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.