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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197935

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-1197935
  • 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: 86
  • Number of elements: 6
  • Element list: ['As', 'H', 'C', 'S', 'N', 'Cl']
  • Chemical System: As-C-Cl-H-N-S
  • Density: 2.4517739822597373
  • Atomic Density: 0.049404493999707796
  • Unit Cell Volume: 1740.7323309597837
  • Molar Volume: 12.189459444793863
  • Full Formula: As16 H4 C2 S20 N40 Cl4
  • Reduced Formula: As8H2CS10(N10Cl)2
  • Formula Anonymous: AB2C2D8E10F20
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -513.08320094
  • Final energy per atom: -5.966083731860465
  • 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.