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  1. Third-Parties
  2. MatprojStructure
  3. mp-16544

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-16544
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 3
  • Element list: ['Mg', 'As', 'Ir']
  • Chemical System: As-Ir-Mg
  • Density: 11.449577942878776
  • Atomic Density: 0.061945037329975174
  • Unit Cell Volume: 274.4368351808823
  • Molar Volume: 9.721748536401138
  • Full Formula: Mg4 As6 Ir7
  • Reduced Formula: Mg4As6Ir7
  • Formula Anonymous: A4B6C7
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -103.89734802
  • Final energy per atom: -6.111608707058823
  • 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.