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  1. Third-Parties
  2. MatprojStructure
  3. mp-685044

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-685044
  • 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: 45
  • Number of elements: 2
  • Element list: ['Yb', 'S']
  • Chemical System: S-Yb
  • Density: 5.514183294787189
  • Atomic Density: 0.04040322721924585
  • Unit Cell Volume: 1113.7724161441367
  • Molar Volume: 14.905098365833974
  • Full Formula: Yb16 S29
  • Reduced Formula: Yb16S29
  • Formula Anonymous: A16B29
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -220.84442999
  • Final energy per atom: -4.907653999777778
  • 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.