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  1. Third-Parties
  2. MatprojStructure
  3. mp-1238356

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-1238356
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Cs', 'Y', 'H', 'N']
  • Chemical System: Cs-H-N-Y
  • Density: 2.5375656497754484
  • Atomic Density: 0.06784921060572578
  • Unit Cell Volume: 943.2681593291676
  • Molar Volume: 8.87577129672868
  • Full Formula: Cs6 Y4 H36 N18
  • Reduced Formula: Cs3Y2(H2N)9
  • Formula Anonymous: A2B3C9D18
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -317.38211334
  • Final energy per atom: -4.9590955209375
  • 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.