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  1. Third-Parties
  2. MatprojStructure
  3. mp-631508

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-631508
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['La', 'Re', 'B']
  • Chemical System: B-La-Re
  • Density: 9.849712136737685
  • Atomic Density: 0.05297309499102265
  • Unit Cell Volume: 56.632522613761004
  • Molar Volume: 11.36830075913173
  • Full Formula: La1 Re1 B1
  • Reduced Formula: LaReB
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -20.57570849
  • Final energy per atom: -6.858569496666667
  • 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.