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  1. Third-Parties
  2. MatprojStructure
  3. mp-1339

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-1339
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Nb', 'Ir']
  • Chemical System: Ir-Nb
  • Density: 18.297114484803764
  • Atomic Density: 0.06582724782596029
  • Unit Cell Volume: 60.76511068145432
  • Molar Volume: 9.148401245517435
  • Full Formula: Nb1 Ir3
  • Reduced Formula: NbIr3
  • Formula Anonymous: AB3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -39.03252513
  • Final energy per atom: -9.7581312825
  • 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.