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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103524

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-1103524
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['K', 'Al', 'N']
  • Chemical System: Al-K-N
  • Density: 1.5763446021141025
  • Atomic Density: 0.04664596057504388
  • Unit Cell Volume: 257.25700257998625
  • Molar Volume: 12.910315675269668
  • Full Formula: K2 Al2 N8
  • Reduced Formula: KAlN4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -56.09101473
  • Final energy per atom: -4.6742512275
  • 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.