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  1. Third-Parties
  2. MatprojStructure
  3. mp-1188347

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-1188347
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 2
  • Element list: ['C', 'N']
  • Chemical System: C-N
  • Density: 3.2346857019465185
  • Atomic Density: 0.15207729362885072
  • Unit Cell Volume: 131.51207207047366
  • Molar Volume: 3.959921048238286
  • Full Formula: C12 N8
  • Reduced Formula: C3N2
  • Formula Anonymous: A2B3
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -172.14179856
  • Final energy per atom: -8.607089928
  • 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.