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  1. Third-Parties
  2. MatprojStructure
  3. mp-10990

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-10990
  • 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: 18
  • Number of elements: 4
  • Element list: ['Al', 'C', 'N', 'O']
  • Chemical System: Al-C-N-O
  • Density: 2.4144209051548855
  • Atomic Density: 0.07353479643308895
  • Unit Cell Volume: 244.78207424397544
  • Molar Volume: 8.189511703455503
  • Full Formula: Al8 C2 N6 O2
  • Reduced Formula: Al4CN3O
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -123.12331525
  • Final energy per atom: -6.840184180555556
  • 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.