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  1. Third-Parties
  2. MatprojStructure
  3. mp-555435

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-555435
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['S', 'I', 'N', 'Cl']
  • Chemical System: Cl-I-N-S
  • Density: 2.2465155504279575
  • Atomic Density: 0.03675408709568766
  • Unit Cell Volume: 1088.3143389158804
  • Molar Volume: 16.384955350194442
  • Full Formula: S16 I4 N12 Cl8
  • Reduced Formula: S4IN3Cl2
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -188.24327438
  • Final energy per atom: -4.7060818595
  • 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.