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  1. Third-Parties
  2. MatprojStructure
  3. mp-634446

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-634446
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Cs', 'Al', 'H', 'N']
  • Chemical System: Al-Cs-H-N
  • Density: 2.281972259977845
  • Atomic Density: 0.0858984393896959
  • Unit Cell Volume: 325.9663411691597
  • Molar Volume: 7.0107685340816515
  • Full Formula: Cs2 Al2 H16 N8
  • Reduced Formula: CsAl(H2N)4
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 85
  • Spacegroup Symbol: P4/n1
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -147.01781024000002
  • Final energy per atom: -5.2506360800000005
  • 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.