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  1. Third-Parties
  2. MatprojStructure
  3. mp-5798

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-5798
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 3
  • Element list: ['Al', 'C', 'N']
  • Chemical System: Al-C-N
  • Density: 2.988589974190057
  • Atomic Density: 0.08762477692114426
  • Unit Cell Volume: 125.53526966350141
  • Molar Volume: 6.872646038710575
  • Full Formula: Al6 C3 N2
  • Reduced Formula: Al6C3N2
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -72.72595688
  • Final energy per atom: -6.6114506254545455
  • 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.