Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-28714

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-28714
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Dy', 'Al', 'Cl']
  • Chemical System: Al-Cl-Dy
  • Density: 2.050878155106762
  • Atomic Density: 0.029543512894081185
  • Unit Cell Volume: 1624.7221571818031
  • Molar Volume: 20.3839698467493
  • Full Formula: Dy3 Al9 Cl36
  • Reduced Formula: Dy(AlCl4)3
  • Formula Anonymous: AB3C12
  • Spacegroup Number: 151
  • Spacegroup Symbol: P3_112
  • Crystal System: trigonal
  • Pointgroup: 312

Thermodynamics:

  • Final energy: -218.41324053
  • Final energy per atom: -4.550275844375
  • 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.