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  1. Third-Parties
  2. MatprojStructure
  3. mp-567395

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-567395
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 2
  • Element list: ['Li', 'Au']
  • Chemical System: Au-Li
  • Density: 4.669792522445063
  • Atomic Density: 0.059902693528925924
  • Unit Cell Volume: 634.3621256638567
  • Molar Volume: 10.053205298843562
  • Full Formula: Li30 Au8
  • Reduced Formula: Li15Au4
  • Formula Anonymous: A4B15
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -96.85644933
  • Final energy per atom: -2.548853929736842
  • 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.