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  1. Third-Parties
  2. MatprojStructure
  3. mp-558106

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-558106
  • 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: 119
  • Number of elements: 6
  • Element list: ['Sn', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: C-H-N-O-S-Sn
  • Density: 1.4941077156255083
  • Atomic Density: 0.09789631493278812
  • Unit Cell Volume: 1215.571802490225
  • Molar Volume: 6.1515499987252555
  • Full Formula: Sn1 H58 C16 S4 N22 O18
  • Reduced Formula: SnH58C16S4(N11O9)2
  • Formula Anonymous: AB4C16D18E22F58
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -709.81339917
  • Final energy per atom: -5.964818480420169
  • 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.