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  1. Third-Parties
  2. MatprojStructure
  3. mp-989468

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-989468
  • 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: 44
  • Number of elements: 3
  • Element list: ['B', 'C', 'N']
  • Chemical System: B-C-N
  • Density: 3.3682764126139197
  • Atomic Density: 0.15747040036610174
  • Unit Cell Volume: 279.41759148198474
  • Molar Volume: 3.824300151647021
  • Full Formula: B8 C12 N24
  • Reduced Formula: B2(CN2)3
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -368.001443
  • Final energy per atom: -8.36366915909091
  • 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.