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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182993

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-1182993
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Al', 'C', 'I', 'N']
  • Chemical System: Al-C-I-N
  • Density: 2.1288242692405808
  • Atomic Density: 0.05087987094187654
  • Unit Cell Volume: 786.1655161369151
  • Molar Volume: 11.835998497086385
  • Full Formula: Al4 C28 I4 N4
  • Reduced Formula: AlC7IN
  • Formula Anonymous: ABCD7
  • Spacegroup Number: 45
  • Spacegroup Symbol: Iba2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -276.01199276
  • Final energy per atom: -6.900299819
  • 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.