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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200653

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-1200653
  • 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: 120
  • Number of elements: 4
  • Element list: ['Sn', 'H', 'C', 'S']
  • Chemical System: C-H-S-Sn
  • Density: 1.912162357706785
  • Atomic Density: 0.06367536844489415
  • Unit Cell Volume: 1884.5591777588259
  • Molar Volume: 9.457567199177927
  • Full Formula: Sn12 H72 C24 S12
  • Reduced Formula: SnH6C2S
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 96
  • Spacegroup Symbol: P4_32_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -588.32670514
  • Final energy per atom: -4.902722542833333
  • 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.