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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245789

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-1245789
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 3
  • Element list: ['Ru', 'C', 'N']
  • Chemical System: C-N-Ru
  • Density: 1.7251313543469367
  • Atomic Density: 0.05541859363986003
  • Unit Cell Volume: 270.66727996524247
  • Molar Volume: 10.866643060513455
  • Full Formula: Ru1 C8 N6
  • Reduced Formula: Ru(C4N3)2
  • Formula Anonymous: AB6C8
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -129.07261635
  • Final energy per atom: -8.60484109
  • 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.