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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194676

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-1194676
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 110
  • Number of elements: 7
  • Element list: ['Zn', 'H', 'Au', 'C', 'S', 'N', 'Cl']
  • Chemical System: Au-C-Cl-H-N-S-Zn
  • Density: 2.1378684969430504
  • Atomic Density: 0.06544241722138289
  • Unit Cell Volume: 1680.8670075233438
  • Molar Volume: 9.202197925586868
  • Full Formula: Zn2 H48 Au4 C24 S16 N8 Cl8
  • Reduced Formula: ZnH24Au2C12S8(NCl)4
  • Formula Anonymous: AB2C4D4E8F12G24
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -580.08980449
  • Final energy per atom: -5.273543677181818
  • 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.