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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203969

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-1203969
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 6
  • Element list: ['Zn', 'P', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-P-Zn
  • Density: 2.0441046057299403
  • Atomic Density: 0.10640280122417117
  • Unit Cell Volume: 1353.3478286593079
  • Molar Volume: 5.659757723212996
  • Full Formula: Zn4 P12 H64 C12 N4 O48
  • Reduced Formula: ZnP3H16C3NO12
  • Formula Anonymous: ABC3D3E12F16
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -853.73994067
  • Final energy per atom: -5.928749587986111
  • 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.