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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211036

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-1211036
  • 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: 36
  • Number of elements: 3
  • Element list: ['Lu', 'B', 'Rh']
  • Chemical System: B-Lu-Rh
  • Density: 9.250586989747166
  • Atomic Density: 0.09684560678942052
  • Unit Cell Volume: 371.7256899249731
  • Molar Volume: 6.2182900801008385
  • Full Formula: Lu8 B24 Rh4
  • Reduced Formula: Lu2B6Rh
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -250.65124985
  • Final energy per atom: -6.962534718055555
  • 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.