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  1. Third-Parties
  2. MatprojStructure
  3. mp-541187

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-541187
  • 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: 15
  • Number of elements: 3
  • Element list: ['Al', 'C', 'N']
  • Chemical System: Al-C-N
  • Density: 3.0461852224563293
  • Atomic Density: 0.08936613383690864
  • Unit Cell Volume: 167.84881874127723
  • Molar Volume: 6.738728085731317
  • Full Formula: Al8 C3 N4
  • Reduced Formula: Al8C3N4
  • Formula Anonymous: A3B4C8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -102.76327056
  • Final energy per atom: -6.850884703999999
  • 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.