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  1. Third-Parties
  2. MatprojStructure
  3. mp-729158

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-729158
  • 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: 48
  • Number of elements: 4
  • Element list: ['S', 'N', 'Cl', 'O']
  • Chemical System: Cl-N-O-S
  • Density: 1.6868648281188199
  • Atomic Density: 0.05130585262108034
  • Unit Cell Volume: 935.5657794931169
  • Molar Volume: 11.737726696555566
  • Full Formula: S8 N12 Cl4 O24
  • Reduced Formula: S2N3ClO6
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -245.06199384
  • Final energy per atom: -5.105458205000001
  • 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.