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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104290

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-1104290
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Ti', 'H', 'Au']
  • Chemical System: Au-H-Ti
  • Density: 7.656269002350532
  • Atomic Density: 0.09393422473448344
  • Unit Cell Volume: 149.040459316854
  • Molar Volume: 6.41101874957963
  • Full Formula: Ti6 H6 Au2
  • Reduced Formula: Ti3H3Au
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 223
  • Spacegroup Symbol: Pm-3n
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -80.53903216
  • Final energy per atom: -5.752788011428572
  • 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.