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  1. Third-Parties
  2. MatprojStructure
  3. mp-504802

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-504802
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 4
  • Element list: ['Mg', 'H', 'S', 'O']
  • Chemical System: H-Mg-O-S
  • Density: 1.707706930763193
  • Atomic Density: 0.10093747369122492
  • Unit Cell Volume: 951.0838392257665
  • Molar Volume: 5.966209119144557
  • Full Formula: Mg4 H48 S8 O36
  • Reduced Formula: MgH12S2O9
  • Formula Anonymous: AB2C9D12
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -517.6841494
  • Final energy per atom: -5.392543222916667
  • 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.