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  1. Third-Parties
  2. MatprojStructure
  3. mp-1101930

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-1101930
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Mg', 'O']
  • Chemical System: Mg-O
  • Density: 2.237597564237167
  • Atomic Density: 0.06686678129795295
  • Unit Cell Volume: 179.46130749929435
  • Molar Volume: 9.006177122786617
  • Full Formula: Mg6 O6
  • Reduced Formula: MgO
  • Formula Anonymous: AB
  • Spacegroup Number: 223
  • Spacegroup Symbol: Pm-3n
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -74.30240064
  • Final energy per atom: -6.19186672
  • 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.