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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210294

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-1210294
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 3
  • Element list: ['Sc', 'In', 'Ir']
  • Chemical System: In-Ir-Sc
  • Density: 6.184957997048153
  • Atomic Density: 0.04756304237412362
  • Unit Cell Volume: 1387.6320080800149
  • Molar Volume: 12.661386781423191
  • Full Formula: Sc50 In2 Ir14
  • Reduced Formula: Sc25InIr7
  • Formula Anonymous: AB7C25
  • Spacegroup Number: 202
  • Spacegroup Symbol: Fm-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -485.41587426
  • Final energy per atom: -7.354785973636364
  • 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.