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  1. Third-Parties
  2. MatprojStructure
  3. mp-568441

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-568441
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 2
  • Element list: ['Mg', 'H']
  • Chemical System: H-Mg
  • Density: 1.6079009602454035
  • Atomic Density: 0.11036491843072753
  • Unit Cell Volume: 217.46040627089323
  • Molar Volume: 5.456571567875439
  • Full Formula: Mg8 H16
  • Reduced Formula: MgH2
  • Formula Anonymous: AB2
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -73.13104962
  • Final energy per atom: -3.0471270675
  • 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.