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  1. Third-Parties
  2. MatprojStructure
  3. mp-6855

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-6855
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Ag', 'C', 'N']
  • Chemical System: Ag-C-K-N-Na
  • Density: 2.491665476876911
  • Atomic Density: 0.04649596097532062
  • Unit Cell Volume: 387.1304006288662
  • Molar Volume: 12.951965361456805
  • Full Formula: K2 Na1 Ag3 C6 N6
  • Reduced Formula: K2NaAg3(CN)6
  • Formula Anonymous: AB2C3D6E6
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -119.45572936
  • Final energy per atom: -6.6364294088888895
  • 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.