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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216226

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-1216226
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 3
  • Element list: ['Yb', 'Mn', 'S']
  • Chemical System: Mn-S-Yb
  • Density: 6.1530623132052575
  • Atomic Density: 0.04561406252490676
  • Unit Cell Volume: 920.7686769199003
  • Molar Volume: 13.202377570977626
  • Full Formula: Yb14 Mn4 S24
  • Reduced Formula: Yb7(MnS6)2
  • Formula Anonymous: A2B7C12
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -231.2573154
  • Final energy per atom: -5.506126557142857
  • 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.