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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208229

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-1208229
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 4
  • Element list: ['Th', 'Al', 'Si', 'Au']
  • Chemical System: Al-Au-Si-Th
  • Density: 8.652894209549569
  • Atomic Density: 0.05147512841060945
  • Unit Cell Volume: 330.256582643049
  • Molar Volume: 11.699127221135376
  • Full Formula: Th2 Al8 Si2 Au5
  • Reduced Formula: Th2Al8Si2Au5
  • Formula Anonymous: A2B2C5D8
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -81.60836608
  • Final energy per atom: -4.800492122352941
  • 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.