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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207859

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-1207859
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 3
  • Element list: ['Y', 'Al', 'Re']
  • Chemical System: Al-Re-Y
  • Density: 5.597150698096991
  • Atomic Density: 0.05993265817881728
  • Unit Cell Volume: 1301.4607122426696
  • Molar Volume: 10.048178977865657
  • Full Formula: Y6 Al60 Re12
  • Reduced Formula: Y(Al5Re)2
  • Formula Anonymous: AB2C10
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -440.62068302
  • Final energy per atom: -5.648983115641026
  • 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.