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  1. Third-Parties
  2. MatprojStructure
  3. mp-35327

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-35327
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Al', 'C', 'N']
  • Chemical System: Al-C-N
  • Density: 1.2398378523820193
  • Atomic Density: 0.049760531407387364
  • Unit Cell Volume: 281.3474776903525
  • Molar Volume: 12.102243665159017
  • Full Formula: Al2 C6 N6
  • Reduced Formula: Al(CN)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -114.7996941
  • Final energy per atom: -8.19997815
  • 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.