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  1. Third-Parties
  2. MatprojStructure
  3. mp-557936

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-557936
  • 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: 60
  • Number of elements: 4
  • Element list: ['Zn', 'Cu', 'Te', 'O']
  • Chemical System: Cu-O-Te-Zn
  • Density: 5.916748418417476
  • Atomic Density: 0.08550496409453219
  • Unit Cell Volume: 701.713644761788
  • Molar Volume: 7.043030569946874
  • Full Formula: Zn8 Cu10 Te6 O36
  • Reduced Formula: Zn4Cu5(TeO6)3
  • Formula Anonymous: A3B4C5D18
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -329.32631121000003
  • Final energy per atom: -5.4887718535
  • 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.