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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200262

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-1200262
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 132
  • Number of elements: 7
  • Element list: ['Na', 'Zn', 'P', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-Na-O-P-Zn
  • Density: 1.782300817045559
  • Atomic Density: 0.10348051661996928
  • Unit Cell Volume: 1275.6024449005035
  • Molar Volume: 5.8195889977204365
  • Full Formula: Na8 Zn2 P6 H64 C6 N2 O44
  • Reduced Formula: Na4ZnP3H32C3NO22
  • Formula Anonymous: ABC3D3E4F22G32
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -735.97685348
  • Final energy per atom: -5.575582223333334
  • 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.