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  1. Third-Parties
  2. MatprojStructure
  3. mp-725605

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-725605
  • 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: 48
  • Number of elements: 4
  • Element list: ['Cd', 'C', 'S', 'N']
  • Chemical System: C-Cd-N-S
  • Density: 1.9571237638902066
  • Atomic Density: 0.044946190739656874
  • Unit Cell Volume: 1067.9436724244729
  • Molar Volume: 13.398556498107304
  • Full Formula: Cd4 C12 S12 N20
  • Reduced Formula: CdC3S3N5
  • Formula Anonymous: AB3C3D5
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -328.25113889
  • Final energy per atom: -6.838565393541667
  • 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.