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  1. Third-Parties
  2. MatprojStructure
  3. mp-1045659

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-1045659
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Zn', 'Cu', 'O']
  • Chemical System: Cu-O-Zn
  • Density: 6.477263528165832
  • Atomic Density: 0.1027937794200497
  • Unit Cell Volume: 233.47716306769874
  • Molar Volume: 5.858468084329814
  • Full Formula: Zn2 Cu9 O13
  • Reduced Formula: Zn2Cu9O13
  • Formula Anonymous: A2B9C13
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -126.13715849000002
  • Final energy per atom: -5.255714937083334
  • 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.