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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207589

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-1207589
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Yb', 'Sb', 'Au']
  • Chemical System: Au-Sb-Yb
  • Density: 10.413580827726351
  • Atomic Density: 0.03926719164412388
  • Unit Cell Volume: 509.331051256702
  • Molar Volume: 15.336316420533171
  • Full Formula: Yb6 Sb8 Au6
  • Reduced Formula: Yb3Sb4Au3
  • Formula Anonymous: A3B3C4
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -77.53311491
  • Final energy per atom: -3.8766557455
  • 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.