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  1. Third-Parties
  2. MatprojStructure
  3. mp-1188195

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-1188195
  • 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: 16
  • Number of elements: 3
  • Element list: ['Y', 'B', 'Ru']
  • Chemical System: B-Ru-Y
  • Density: 7.000000449478844
  • Atomic Density: 0.0796888778244065
  • Unit Cell Volume: 200.7808421553609
  • Molar Volume: 7.557065583568281
  • Full Formula: Y4 B8 Ru4
  • Reduced Formula: YB2Ru
  • Formula Anonymous: ABC2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -125.97096122
  • Final energy per atom: -7.87318507625
  • 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.