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  1. Third-Parties
  2. MatprojStructure
  3. mp-1041768

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-1041768
  • 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: 66
  • Number of elements: 4
  • Element list: ['Mg', 'Cr', 'Cu', 'O']
  • Chemical System: Cr-Cu-Mg-O
  • Density: 3.5517885227367794
  • Atomic Density: 0.07743675922173111
  • Unit Cell Volume: 852.3083954355154
  • Molar Volume: 7.7768501943066894
  • Full Formula: Mg6 Cr12 Cu6 O42
  • Reduced Formula: MgCr2CuO7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -478.13633071
  • Final energy per atom: -7.244489859242424
  • 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.