Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1225385

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-1225385
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 4
  • Element list: ['Dy', 'Sc', 'Si', 'Ir']
  • Chemical System: Dy-Ir-Sc-Si
  • Density: 7.923145945804177
  • Atomic Density: 0.05780369916192206
  • Unit Cell Volume: 657.3973733679719
  • Molar Volume: 10.418261888621583
  • Full Formula: Dy5 Sc5 Si20 Ir8
  • Reduced Formula: Dy5Sc5(Si5Ir2)4
  • Formula Anonymous: A5B5C8D20
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -266.58127889
  • Final energy per atom: -7.0152968128947375
  • 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.