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  1. Third-Parties
  2. MatprojStructure
  3. mp-541931

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-541931
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 5
  • Element list: ['Zn', 'Cd', 'C', 'S', 'N']
  • Chemical System: C-Cd-N-S-Zn
  • Density: 2.2869328552107313
  • Atomic Density: 0.04700997927222155
  • Unit Cell Volume: 297.8091081242547
  • Molar Volume: 12.810345490959438
  • Full Formula: Zn1 Cd1 C4 S4 N4
  • Reduced Formula: ZnCdC4(SN)4
  • Formula Anonymous: ABC4D4E4
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -91.74042244
  • Final energy per atom: -6.552887317142857
  • 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.