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  1. Third-Parties
  2. MatprojStructure
  3. mp-996955

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-996955
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['H', 'Au', 'O']
  • Chemical System: Au-H-O
  • Density: 6.9727650415822415
  • Atomic Density: 0.07303625410082124
  • Unit Cell Volume: 54.76732136999101
  • Molar Volume: 8.245412958456047
  • Full Formula: H1 Au1 O2
  • Reduced Formula: HAuO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -19.50484475
  • Final energy per atom: -4.8762111875
  • 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.