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  1. Third-Parties
  2. MatprojStructure
  3. mp-685488

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-685488
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 3
  • Element list: ['Mn', 'Cu', 'O']
  • Chemical System: Cu-Mn-O
  • Density: 5.162762097415303
  • Atomic Density: 0.09100735748856548
  • Unit Cell Volume: 769.168580779802
  • Molar Volume: 6.617202088036284
  • Full Formula: Mn18 Cu12 O40
  • Reduced Formula: Mn9(Cu3O10)2
  • Formula Anonymous: A6B9C20
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -522.60816774
  • Final energy per atom: -7.465830967714286
  • 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.