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  1. Third-Parties
  2. MatprojStructure
  3. mp-976039

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-976039
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 2
  • Element list: ['Lu', 'Be']
  • Chemical System: Be-Lu
  • Density: 3.755997136916299
  • Atomic Density: 0.1084014075130918
  • Unit Cell Volume: 258.2992291554738
  • Molar Volume: 5.5554082720491405
  • Full Formula: Lu2 Be26
  • Reduced Formula: LuBe13
  • Formula Anonymous: AB13
  • Spacegroup Number: 226
  • Spacegroup Symbol: Fm-3c
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -111.33919841
  • Final energy per atom: -3.9763999432142856
  • 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.