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  1. Third-Parties
  2. MatprojStructure
  3. mp-582994

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-582994
  • 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: 36
  • Number of elements: 4
  • Element list: ['K', 'Ag', 'C', 'N']
  • Chemical System: Ag-C-K-N
  • Density: 2.2558706920029215
  • Atomic Density: 0.04096004653726868
  • Unit Cell Volume: 878.9052514196819
  • Molar Volume: 14.70247538542365
  • Full Formula: K6 Ag6 C12 N12
  • Reduced Formula: KAg(CN)2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -239.16062485
  • Final energy per atom: -6.643350690277778
  • 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.