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  1. Third-Parties
  2. MatprojStructure
  3. mp-1047872

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-1047872
  • 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: 84
  • Number of elements: 5
  • Element list: ['Mg', 'Ti', 'Be', 'Si', 'O']
  • Chemical System: Be-Mg-O-Si-Ti
  • Density: 3.2111255919888366
  • Atomic Density: 0.09592984218867107
  • Unit Cell Volume: 875.6399268831494
  • Molar Volume: 6.277651065198136
  • Full Formula: Mg4 Ti8 Be12 Si12 O48
  • Reduced Formula: MgTi2Be3(SiO4)3
  • Formula Anonymous: AB2C3D3E12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -665.07705729
  • Final energy per atom: -7.917584015357143
  • 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.