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  1. Third-Parties
  2. MatprojStructure
  3. mp-697921

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-697921
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Mg', 'H', 'O']
  • Chemical System: H-Mg-O
  • Density: 2.399630530327213
  • Atomic Density: 0.11620602991646294
  • Unit Cell Volume: 189.31891930061758
  • Molar Volume: 5.182296275269999
  • Full Formula: Mg5 H8 O9
  • Reduced Formula: Mg5H8O9
  • Formula Anonymous: A5B8C9
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -125.96826835
  • Final energy per atom: -5.725830379545455
  • 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.