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  1. Third-Parties
  2. MatprojStructure
  3. mp-727060

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-727060
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Zn', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-N-Zn
  • Density: 1.5191571388078031
  • Atomic Density: 0.03552504734790905
  • Unit Cell Volume: 1238.562740510739
  • Molar Volume: 16.951816280561424
  • Full Formula: Zn4 C16 N8 Cl16
  • Reduced Formula: ZnC4(NCl2)2
  • Formula Anonymous: AB2C4D4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -231.45126233
  • Final energy per atom: -5.260255962045455
  • 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.