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  1. Third-Parties
  2. MatprojStructure
  3. mp-731109

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-731109
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['Zn', 'Cu', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-Cu-N-Zn
  • Density: 2.6964015107793844
  • Atomic Density: 0.039672252883493256
  • Unit Cell Volume: 655.3698897906054
  • Molar Volume: 15.179729716095048
  • Full Formula: Zn4 Cu4 C2 N2 Cl14
  • Reduced Formula: Zn2Cu2CNCl7
  • Formula Anonymous: ABC2D2E7
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -101.23549669
  • Final energy per atom: -3.893672949615385
  • 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.