Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-850292

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-850292
  • 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: 82
  • Number of elements: 4
  • Element list: ['Dy', 'H', 'S', 'O']
  • Chemical System: Dy-H-O-S
  • Density: 3.043006715253986
  • Atomic Density: 0.09921194309637334
  • Unit Cell Volume: 826.5133958755968
  • Molar Volume: 6.0699756219371315
  • Full Formula: Dy4 H32 S6 O40
  • Reduced Formula: Dy2H16S3O20
  • Formula Anonymous: A2B3C16D20
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -499.87852492
  • Final energy per atom: -6.096079572195122
  • 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.