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  1. Third-Parties
  2. MatprojStructure
  3. mp-773893

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-773893
  • 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: 78
  • Number of elements: 6
  • Element list: ['Sn', 'Sb', 'H', 'C', 'S', 'Cl']
  • Chemical System: C-Cl-H-S-Sb-Sn
  • Density: 2.012842691669922
  • Atomic Density: 0.07655238612782947
  • Unit Cell Volume: 1018.910107775782
  • Molar Volume: 7.866692424118627
  • Full Formula: Sn2 Sb4 H48 C16 S4 Cl4
  • Reduced Formula: SnSb2H24C8(SCl)2
  • Formula Anonymous: AB2C2D2E8F24
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -376.45068063
  • Final energy per atom: -4.826290777307692
  • 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.