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  1. Third-Parties
  2. MatprojStructure
  3. mp-30242

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-30242
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 3
  • Element list: ['Mg', 'H', 'O']
  • Chemical System: H-Mg-O
  • Density: 3.012779404662889
  • Atomic Density: 0.11135077350749914
  • Unit Cell Volume: 98.7869204093062
  • Molar Volume: 5.408261272288717
  • Full Formula: Mg4 H2 O5
  • Reduced Formula: Mg4H2O5
  • Formula Anonymous: A2B4C5
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -66.14391309
  • Final energy per atom: -6.013083008181818
  • 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.