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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204112

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-1204112
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 5
  • Element list: ['Sn', 'H', 'S', 'N', 'Cl']
  • Chemical System: Cl-H-N-S-Sn
  • Density: 2.0550196969894783
  • Atomic Density: 0.04651803918056745
  • Unit Cell Volume: 988.8636926729307
  • Molar Volume: 12.945818151586455
  • Full Formula: Sn2 H8 S12 N12 Cl12
  • Reduced Formula: SnH4S6(NCl)6
  • Formula Anonymous: AB4C6D6E6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -225.15086779
  • Final energy per atom: -4.8945840823913045
  • 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.