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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194491

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-1194491
  • 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: 30
  • Number of elements: 4
  • Element list: ['Zn', 'Cu', 'P', 'O']
  • Chemical System: Cu-O-P-Zn
  • Density: 4.464166127521038
  • Atomic Density: 0.08658888906487267
  • Unit Cell Volume: 346.46477537694136
  • Molar Volume: 6.95486548567241
  • Full Formula: Zn6 Cu2 P4 O18
  • Reduced Formula: Zn3CuP2O9
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -189.84372524000003
  • Final energy per atom: -6.328124174666668
  • 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.