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  1. Third-Parties
  2. MatprojStructure
  3. mp-562248

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-562248
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Ag', 'C', 'S', 'N', 'O']
  • Chemical System: Ag-C-N-O-S
  • Density: 4.069415546919816
  • Atomic Density: 0.06784545708047482
  • Unit Cell Volume: 412.70265106752584
  • Molar Volume: 8.876262345549303
  • Full Formula: Ag6 C2 S2 N6 O12
  • Reduced Formula: Ag3CS(NO2)3
  • Formula Anonymous: ABC3D3E6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -165.82215606
  • Final energy per atom: -5.922219859285714
  • 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.