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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189352

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-1189352
  • 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: 18
  • Number of elements: 5
  • Element list: ['Zn', 'Cu', 'H', 'Cl', 'O']
  • Chemical System: Cl-Cu-H-O-Zn
  • Density: 3.62404006389751
  • Atomic Density: 0.09157187402967183
  • Unit Cell Volume: 196.56690649541036
  • Molar Volume: 6.5764087759617755
  • Full Formula: Zn1 Cu3 H6 Cl2 O6
  • Reduced Formula: ZnCu3H6(ClO3)2
  • Formula Anonymous: AB2C3D6E6
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -88.48810685
  • Final energy per atom: -4.916005936111111
  • 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.