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  1. Third-Parties
  2. MatprojStructure
  3. mp-696221

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-696221
  • 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: 28
  • Number of elements: 4
  • Element list: ['K', 'Al', 'H', 'N']
  • Chemical System: Al-H-K-N
  • Density: 1.1443875570277635
  • Atomic Density: 0.07412089099746601
  • Unit Cell Volume: 377.7612441404306
  • Molar Volume: 8.12475494959428
  • Full Formula: K2 Al2 H16 N8
  • Reduced Formula: KAl(H2N)4
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -134.21722823000002
  • Final energy per atom: -4.793472436785715
  • 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.