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  1. Third-Parties
  2. MatprojStructure
  3. mp-1008527

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-1008527
  • 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: 4
  • Number of elements: 3
  • Element list: ['B', 'C', 'N']
  • Chemical System: B-C-N
  • Density: 3.125595154250968
  • Atomic Density: 0.15804375356682066
  • Unit Cell Volume: 25.30944697101747
  • Molar Volume: 3.810426305430571
  • Full Formula: B2 C1 N1
  • Reduced Formula: B2CN
  • Formula Anonymous: ABC2
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -32.67849664
  • Final energy per atom: -8.16962416
  • 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.