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  1. Third-Parties
  2. MatprojStructure
  3. mp-647878

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-647878
  • 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: 68
  • Number of elements: 4
  • Element list: ['Sb', 'S', 'N', 'Cl']
  • Chemical System: Cl-N-S-Sb
  • Density: 2.140483937380503
  • Atomic Density: 0.03879618698294877
  • Unit Cell Volume: 1752.7495686595835
  • Molar Volume: 15.522506793378378
  • Full Formula: Sb4 S20 N20 Cl24
  • Reduced Formula: SbS5N5Cl6
  • Formula Anonymous: AB5C5D6
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -331.59875998
  • Final energy per atom: -4.876452352647059
  • 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.