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  1. Third-Parties
  2. MatprojStructure
  3. mp-1042399

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-1042399
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Mg', 'Cu', 'As', 'O']
  • Chemical System: As-Cu-Mg-O
  • Density: 4.1930886275783
  • Atomic Density: 0.07943180227479735
  • Unit Cell Volume: 553.9343026333498
  • Molar Volume: 7.581523505114707
  • Full Formula: Mg4 Cu4 As8 O28
  • Reduced Formula: MgCuAs2O7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -278.28716198
  • Final energy per atom: -6.324708226818182
  • 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.