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  1. Third-Parties
  2. MatprojStructure
  3. mp-557393

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-557393
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['K', 'Ag', 'C', 'S', 'N']
  • Chemical System: Ag-C-K-N-S
  • Density: 2.035315550519191
  • Atomic Density: 0.042866543629585176
  • Unit Cell Volume: 1493.0058404762347
  • Molar Volume: 14.04858019820311
  • Full Formula: K12 Ag4 C16 S16 N16
  • Reduced Formula: K3AgC4(SN)4
  • Formula Anonymous: AB3C4D4E4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -403.70918458
  • Final energy per atom: -6.3079560090625
  • 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.