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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204849

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-1204849
  • 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: 68
  • Number of elements: 3
  • Element list: ['Mg', 'B', 'O']
  • Chemical System: B-Mg-O
  • Density: 1.8662165623839146
  • Atomic Density: 0.07217027756200556
  • Unit Cell Volume: 942.2161351891347
  • Molar Volume: 8.34435028301788
  • Full Formula: Mg4 B12 O52
  • Reduced Formula: MgB3O13
  • Formula Anonymous: AB3C13
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -402.13380651
  • Final energy per atom: -5.913732448676471
  • 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.