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  1. Third-Parties
  2. MatprojStructure
  3. mp-22889

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-22889
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Zn', 'Cl']
  • Chemical System: Cl-Zn
  • Density: 2.6753566689542145
  • Atomic Density: 0.03545767035736658
  • Unit Cell Volume: 338.43170967116055
  • Molar Volume: 16.984028277393183
  • Full Formula: Zn4 Cl8
  • Reduced Formula: ZnCl2
  • Formula Anonymous: AB2
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -38.49967335
  • Final energy per atom: -3.2083061125000003
  • 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.