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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198478

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-1198478
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 2
  • Element list: ['Br', 'N']
  • Chemical System: Br-N
  • Density: 1.9966778956030422
  • Atomic Density: 0.03944839566207973
  • Unit Cell Volume: 811.1863477064139
  • Molar Volume: 15.265869901494774
  • Full Formula: Br8 N24
  • Reduced Formula: BrN3
  • Formula Anonymous: AB3
  • Spacegroup Number: 110
  • Spacegroup Symbol: I4_1cd
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -197.52854265
  • Final energy per atom: -6.1727669578125
  • 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.