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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105196

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-1105196
  • 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: 18
  • Number of elements: 5
  • Element list: ['Zn', 'Cu', 'H', 'Cl', 'O']
  • Chemical System: Cl-Cu-H-O-Zn
  • Density: 3.2764560522176067
  • Atomic Density: 0.08243118388284204
  • Unit Cell Volume: 218.36396315238025
  • Molar Volume: 7.305658461194929
  • Full Formula: Zn2 Cu2 H6 Cl2 O6
  • Reduced Formula: ZnCuH3ClO3
  • Formula Anonymous: ABCD3E3
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -87.42604478999999
  • Final energy per atom: -4.8570024883333325
  • 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.