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  1. Third-Parties
  2. MatprojStructure
  3. mp-675822

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-675822
  • 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: 41
  • Number of elements: 3
  • Element list: ['Dy', 'Pb', 'S']
  • Chemical System: Dy-Pb-S
  • Density: 6.775508608331148
  • Atomic Density: 0.04563155262008654
  • Unit Cell Volume: 898.5010950942795
  • Molar Volume: 13.197317238224139
  • Full Formula: Dy14 Pb3 S24
  • Reduced Formula: Dy14(PbS8)3
  • Formula Anonymous: A3B14C24
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -260.5731913
  • Final energy per atom: -6.355443690243903
  • 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.