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  1. Third-Parties
  2. MatprojStructure
  3. mp-10138

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-10138
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Y', 'B', 'Ru']
  • Chemical System: B-Ru-Y
  • Density: 8.416549846219914
  • Atomic Density: 0.08503830112084124
  • Unit Cell Volume: 423.33865476502444
  • Molar Volume: 7.081680467066728
  • Full Formula: Y4 B16 Ru16
  • Reduced Formula: Y(BRu)4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -298.85735178
  • Final energy per atom: -8.301593105
  • 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.