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  1. Third-Parties
  2. MatprojStructure
  3. mp-757254

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-757254
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 3
  • Element list: ['Mg', 'Cu', 'O']
  • Chemical System: Cu-Mg-O
  • Density: 5.503781011517761
  • Atomic Density: 0.09700792114042239
  • Unit Cell Volume: 865.9086702662871
  • Molar Volume: 6.207885592438104
  • Full Formula: Mg12 Cu30 O42
  • Reduced Formula: Mg2Cu5O7
  • Formula Anonymous: A2B5C7
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -474.55605004
  • Final energy per atom: -5.649476786190476
  • 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.