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  1. Third-Parties
  2. MatprojStructure
  3. mp-541844

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-541844
  • 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: 36
  • Number of elements: 2
  • Element list: ['Ge', 'Ir']
  • Chemical System: Ge-Ir
  • Density: 12.501573443580105
  • Atomic Density: 0.05985295187414639
  • Unit Cell Volume: 601.4740939711326
  • Molar Volume: 10.061560159410076
  • Full Formula: Ge20 Ir16
  • Reduced Formula: Ge5Ir4
  • Formula Anonymous: A4B5
  • Spacegroup Number: 116
  • Spacegroup Symbol: P-4c2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -246.5164486
  • Final energy per atom: -6.847679127777777
  • 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.