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  1. Third-Parties
  2. MatprojStructure
  3. mp-672326

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-672326
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['In', 'Ru']
  • Chemical System: In-Ru
  • Density: 7.998560893480224
  • Atomic Density: 0.04324656772215662
  • Unit Cell Volume: 369.97155711394595
  • Molar Volume: 13.92512996335351
  • Full Formula: In12 Ru4
  • Reduced Formula: In3Ru
  • Formula Anonymous: AB3
  • Spacegroup Number: 118
  • Spacegroup Symbol: P-4n2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -72.36461188
  • Final energy per atom: -4.5227882425
  • 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.