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  1. Third-Parties
  2. MatprojStructure
  3. mp-541550

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-541550
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 57
  • Number of elements: 4
  • Element list: ['Mg', 'Si', 'H', 'O']
  • Chemical System: H-Mg-O-Si
  • Density: 3.0420388104257783
  • Atomic Density: 0.09269130155820113
  • Unit Cell Volume: 614.9444342866362
  • Molar Volume: 6.4969858646538485
  • Full Formula: Mg16 Si8 H1 O32
  • Reduced Formula: Mg16Si8HO32
  • Formula Anonymous: AB8C16D32
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -406.73027198
  • Final energy per atom: -7.135618806666667
  • 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.