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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217024

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-1217024
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Ti', 'Pt', 'Au']
  • Chemical System: Au-Pt-Ti
  • Density: 8.61807750928742
  • Atomic Density: 0.0611251581259216
  • Unit Cell Volume: 130.8790070288163
  • Molar Volume: 9.852147535707013
  • Full Formula: Ti6 Pt1 Au1
  • Reduced Formula: Ti6PtAu
  • Formula Anonymous: ABC6
  • Spacegroup Number: 200
  • Spacegroup Symbol: Pm-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -60.69074253
  • Final energy per atom: -7.58634281625
  • 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.