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  1. Third-Parties
  2. MatprojStructure
  3. mp-708999

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-708999
  • 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: 120
  • Number of elements: 6
  • Element list: ['K', 'Sn', 'H', 'C', 'Se', 'N']
  • Chemical System: C-H-K-N-Se-Sn
  • Density: 2.088020251906272
  • Atomic Density: 0.07756258952935365
  • Unit Cell Volume: 1547.1376178664827
  • Molar Volume: 7.764233758235876
  • Full Formula: K2 Sn4 H72 C24 Se12 N6
  • Reduced Formula: KSn2H36C12(Se2N)3
  • Formula Anonymous: AB2C3D6E12F36
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -606.98974732
  • Final energy per atom: -5.058247894333333
  • 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.