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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193781

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-1193781
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Sn', 'H', 'C', 'S', 'N']
  • Chemical System: C-H-N-S-Sn
  • Density: 1.760271298055787
  • Atomic Density: 0.060016123811426646
  • Unit Cell Volume: 499.8656710030349
  • Molar Volume: 10.034204772907088
  • Full Formula: Sn2 H12 C8 S4 N4
  • Reduced Formula: SnH6C4(SN)2
  • Formula Anonymous: AB2C2D4E6
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -175.71133772
  • Final energy per atom: -5.857044590666666
  • 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.