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  1. Third-Parties
  2. MatprojStructure
  3. mp-24694

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-24694
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 3
  • Element list: ['Zn', 'H', 'N']
  • Chemical System: H-N-Zn
  • Density: 2.490184646066881
  • Atomic Density: 0.10771597357702885
  • Unit Cell Volume: 1039.7715053831603
  • Molar Volume: 5.590759253262936
  • Full Formula: Zn16 H64 N32
  • Reduced Formula: Zn(H2N)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -550.7538803
  • Final energy per atom: -4.9174453598214285
  • 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.