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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205874

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-1205874
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Lu', 'Fe', 'Bi']
  • Chemical System: Bi-Fe-Lu
  • Density: 10.712749985581501
  • Atomic Density: 0.03810844203208916
  • Unit Cell Volume: 236.16814333216675
  • Molar Volume: 15.802642246379596
  • Full Formula: Lu6 Fe1 Bi2
  • Reduced Formula: Lu6FeBi2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -47.10625838
  • Final energy per atom: -5.234028708888889
  • 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.