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  1. Third-Parties
  2. MatprojStructure
  3. mp-36248

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-36248
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['H', 'Br', 'N']
  • Chemical System: Br-H-N
  • Density: 2.4273308466102423
  • Atomic Density: 0.08954887206893776
  • Unit Cell Volume: 67.00251897512452
  • Molar Volume: 6.724976675712846
  • Full Formula: H4 Br1 N1
  • Reduced Formula: H4BrN
  • Formula Anonymous: ABC4
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -27.6551926
  • Final energy per atom: -4.609198766666666
  • 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.