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  1. Third-Parties
  2. MatprojStructure
  3. mp-648573

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-648573
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Zn', 'Ag', 'C', 'S', 'N']
  • Chemical System: Ag-C-N-S-Zn
  • Density: 2.7798246209710546
  • Atomic Density: 0.048903535210243425
  • Unit Cell Volume: 613.4525831522328
  • Molar Volume: 12.314326017761168
  • Full Formula: Zn2 Ag4 C8 S8 N8
  • Reduced Formula: ZnAg2C4(SN)4
  • Formula Anonymous: AB2C4D4E4
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -190.83618167
  • Final energy per atom: -6.361206055666667
  • 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.