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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212371

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-1212371
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 132
  • Number of elements: 4
  • Element list: ['Mg', 'Si', 'H', 'O']
  • Chemical System: H-Mg-O-Si
  • Density: 1.7923179941360108
  • Atomic Density: 0.06550347078194105
  • Unit Cell Volume: 2015.160394163292
  • Molar Volume: 9.193620869415476
  • Full Formula: Mg16 Si24 H24 O68
  • Reduced Formula: Mg4Si6H6O17
  • Formula Anonymous: A4B6C6D17
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -833.89245105
  • Final energy per atom: -6.31736705340909
  • 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.