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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200739

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-1200739
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 6
  • Element list: ['H', 'Au', 'C', 'S', 'N', 'Cl']
  • Chemical System: Au-C-Cl-H-N-S
  • Density: 2.437401536362766
  • Atomic Density: 0.06868659784021279
  • Unit Cell Volume: 524.1197137722213
  • Molar Volume: 8.767563031742299
  • Full Formula: H16 Au2 C4 S4 N8 Cl2
  • Reduced Formula: H8AuC2S2N4Cl
  • Formula Anonymous: ABC2D2E4F8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -200.90830522
  • Final energy per atom: -5.580786256111111
  • 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.