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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104723

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-1104723
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Bi', 'Br', 'N']
  • Chemical System: Bi-Br-N
  • Density: 3.8186419404346212
  • Atomic Density: 0.027304297817627277
  • Unit Cell Volume: 512.73979259638
  • Molar Volume: 22.055651459061473
  • Full Formula: Bi2 Br9 N3
  • Reduced Formula: Bi2(Br3N)3
  • Formula Anonymous: A2B3C9
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -41.205627660000005
  • Final energy per atom: -2.943259118571429
  • 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.