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  1. Third-Parties
  2. MatprojStructure
  3. mp-680067

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-680067
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 6
  • Element list: ['Ag', 'C', 'S', 'N', 'Cl', 'O']
  • Chemical System: Ag-C-Cl-N-O-S
  • Density: 3.8661682552669463
  • Atomic Density: 0.06237481412381282
  • Unit Cell Volume: 641.2844761445022
  • Molar Volume: 9.654763456362636
  • Full Formula: Ag8 C4 S4 N4 Cl4 O16
  • Reduced Formula: Ag2CSNClO4
  • Formula Anonymous: ABCDE2F4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -205.9892463
  • Final energy per atom: -5.1497311575
  • 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.