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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212217

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-1212217
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 3
  • Element list: ['Mg', 'As', 'O']
  • Chemical System: As-Mg-O
  • Density: 2.5040067584600534
  • Atomic Density: 0.07122783779973686
  • Unit Cell Volume: 730.0516428169901
  • Molar Volume: 8.454757221371455
  • Full Formula: Mg4 As4 O44
  • Reduced Formula: MgAsO11
  • Formula Anonymous: ABC11
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -261.05126601
  • Final energy per atom: -5.020216654038462
  • 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.