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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189158

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-1189158
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['Rb', 'Ru', 'N', 'Cl', 'O']
  • Chemical System: Cl-N-O-Rb-Ru
  • Density: 2.8276424947775856
  • Atomic Density: 0.034567970816338105
  • Unit Cell Volume: 462.8562111733156
  • Molar Volume: 17.421157845787448
  • Full Formula: Rb3 Ru2 N1 Cl8 O2
  • Reduced Formula: Rb3Ru2N(Cl4O)2
  • Formula Anonymous: AB2C2D3E8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -75.57085682
  • Final energy per atom: -4.72317855125
  • 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.