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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226380

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-1226380
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 6
  • Element list: ['Hg', 'As', 'H', 'C', 'S', 'N']
  • Chemical System: As-C-H-Hg-N-S
  • Density: 2.433172589970842
  • Atomic Density: 0.057180874374713316
  • Unit Cell Volume: 1888.7434160636071
  • Molar Volume: 10.53173954727619
  • Full Formula: Hg4 As12 H48 C16 S24 N4
  • Reduced Formula: HgAs3H12C4S6N
  • Formula Anonymous: ABC3D4E6F12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -530.24930967
  • Final energy per atom: -4.9097158302777775
  • 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.