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  1. Third-Parties
  2. MatprojStructure
  3. mp-725670

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-725670
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Zn', 'N', 'Cl']
  • Chemical System: Cl-N-Zn
  • Density: 1.9771460206269549
  • Atomic Density: 0.036228222399183795
  • Unit Cell Volume: 276.027895871184
  • Molar Volume: 16.62278842622893
  • Full Formula: Zn2 N4 Cl4
  • Reduced Formula: Zn(NCl)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -30.57923853
  • Final energy per atom: -3.057923853
  • 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.