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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196493

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-1196493
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 2
  • Element list: ['Be', 'Ru']
  • Chemical System: Be-Ru
  • Density: 6.827675530863239
  • Atomic Density: 0.0897064377710697
  • Unit Cell Volume: 445.8988785406881
  • Molar Volume: 6.713164528245418
  • Full Formula: Be24 Ru16
  • Reduced Formula: Be3Ru2
  • Formula Anonymous: A2B3
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -234.81707095
  • Final energy per atom: -5.870426773749999
  • 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.