Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1105803

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-1105803
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 3
  • Element list: ['Dy', 'Ge', 'Ir']
  • Chemical System: Dy-Ge-Ir
  • Density: 13.593535831836393
  • Atomic Density: 0.05723783143390624
  • Unit Cell Volume: 297.0063605507184
  • Molar Volume: 10.521259469716103
  • Full Formula: Dy4 Ge6 Ir7
  • Reduced Formula: Dy4Ge6Ir7
  • Formula Anonymous: A4B6C7
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -122.92026809
  • Final energy per atom: -7.230604005294118
  • 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.