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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247832

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-1247832
  • 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: 41
  • Number of elements: 3
  • Element list: ['Al', 'B', 'C']
  • Chemical System: Al-B-C
  • Density: 2.5891087965354713
  • Atomic Density: 0.08641779169184216
  • Unit Cell Volume: 474.4393393689369
  • Molar Volume: 6.968635326246702
  • Full Formula: Al17 B6 C18
  • Reduced Formula: Al17(BC3)6
  • Formula Anonymous: A6B17C18
  • Spacegroup Number: 150
  • Spacegroup Symbol: P321
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -267.44304066
  • Final energy per atom: -6.523000991707317
  • 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.