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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212932

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-1212932
  • 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: 60
  • Number of elements: 3
  • Element list: ['Ru', 'N', 'Cl']
  • Chemical System: Cl-N-Ru
  • Density: 1.8925170419094954
  • Atomic Density: 0.039101915471742334
  • Unit Cell Volume: 1534.4516828941544
  • Molar Volume: 15.401140039679134
  • Full Formula: Ru6 N36 Cl18
  • Reduced Formula: Ru(N2Cl)3
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -352.75422465
  • Final energy per atom: -5.8792370775
  • 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.