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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216298

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-1216298
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 5
  • Element list: ['Zn', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-Zn
  • Density: 1.8816934235100684
  • Atomic Density: 0.09605762356389255
  • Unit Cell Volume: 916.1167717361544
  • Molar Volume: 6.26930017271808
  • Full Formula: Zn4 H32 C16 N12 O24
  • Reduced Formula: ZnH8C4(NO2)3
  • Formula Anonymous: AB3C4D6E8
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -555.64754773
  • Final energy per atom: -6.314176678750001
  • 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.