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  1. Third-Parties
  2. MatprojStructure
  3. mp-676562

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-676562
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Yb', 'Sm', 'S']
  • Chemical System: S-Sm-Yb
  • Density: 6.764707405491464
  • Atomic Density: 0.04649245817646004
  • Unit Cell Volume: 301.1241080620781
  • Molar Volume: 12.952941178423465
  • Full Formula: Yb3 Sm3 S8
  • Reduced Formula: Yb3Sm3S8
  • Formula Anonymous: A3B3C8
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -83.89261515
  • Final energy per atom: -5.992329653571429
  • 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.