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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201561

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-1201561
  • 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: 140
  • Number of elements: 2
  • Element list: ['Sc', 'Ir']
  • Chemical System: Ir-Sc
  • Density: 5.620142240704144
  • Atomic Density: 0.046809444215609806
  • Unit Cell Volume: 2990.8494395947864
  • Molar Volume: 12.865225940862087
  • Full Formula: Sc114 Ir26
  • Reduced Formula: Sc57Ir13
  • Formula Anonymous: A13B57
  • Spacegroup Number: 200
  • Spacegroup Symbol: Pm-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -1020.54575376
  • Final energy per atom: -7.289612526857143
  • 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.