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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205288

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-1205288
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 291
  • Number of elements: 4
  • Element list: ['Mg', 'Si', 'H', 'O']
  • Chemical System: H-Mg-O-Si
  • Density: 2.4907367314034548
  • Atomic Density: 0.0962284199625684
  • Unit Cell Volume: 3024.0546411672894
  • Molar Volume: 6.258172754309522
  • Full Formula: Mg48 Si34 H62 O147
  • Reduced Formula: Mg48Si34H62O147
  • Formula Anonymous: A34B48C62D147
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -1961.61814132
  • Final energy per atom: -6.74095581209622
  • 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.