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  1. Third-Parties
  2. MatprojStructure
  3. mp-543056

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-543056
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 41
  • Number of elements: 4
  • Element list: ['Mg', 'As', 'H', 'O']
  • Chemical System: As-H-Mg-O
  • Density: 3.299442520903276
  • Atomic Density: 0.0808447537542786
  • Unit Cell Volume: 507.1448436173897
  • Molar Volume: 7.449018619444166
  • Full Formula: Mg7 As6 H4 O24
  • Reduced Formula: Mg7As6(HO6)4
  • Formula Anonymous: A4B6C7D24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -255.25460611
  • Final energy per atom: -6.225722100243902
  • 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.