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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198712

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-1198712
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 2
  • Element list: ['Y', 'Ir']
  • Chemical System: Ir-Y
  • Density: 8.838107498038427
  • Atomic Density: 0.04169632338548813
  • Unit Cell Volume: 767.4537561538865
  • Molar Volume: 14.442857957341941
  • Full Formula: Y20 Ir12
  • Reduced Formula: Y5Ir3
  • Formula Anonymous: A3B5
  • Spacegroup Number: 130
  • Spacegroup Symbol: P4/ncc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -260.33048967
  • Final energy per atom: -8.1353278021875
  • 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.