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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189777

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-1189777
  • 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: 18
  • Number of elements: 5
  • Element list: ['Cu', 'C', 'S', 'N', 'Cl']
  • Chemical System: C-Cl-Cu-N-S
  • Density: 1.2695683107127123
  • Atomic Density: 0.03627562418659154
  • Unit Cell Volume: 496.2009725156787
  • Molar Volume: 16.60106723187949
  • Full Formula: Cu1 C8 S4 N4 Cl1
  • Reduced Formula: CuC8S4N4Cl
  • Formula Anonymous: ABC4D4E8
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -116.84362175
  • Final energy per atom: -6.491312319444444
  • 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.