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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222551

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-1222551
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Li', 'Nd', 'Ga']
  • Chemical System: Ga-Li-Nd
  • Density: 5.339224658685878
  • Atomic Density: 0.05337805675317677
  • Unit Cell Volume: 224.811481157673
  • Molar Volume: 11.28205319996329
  • Full Formula: Li3 Nd1 Ga8
  • Reduced Formula: Li3NdGa8
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -38.95891874
  • Final energy per atom: -3.2465765616666666
  • 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.