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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182775

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-1182775
  • 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: 116
  • Number of elements: 5
  • Element list: ['H', 'Ru', 'N', 'Cl', 'O']
  • Chemical System: Cl-H-N-O-Ru
  • Density: 1.2732861540894633
  • Atomic Density: 0.06528696403646679
  • Unit Cell Volume: 1776.7712392815029
  • Molar Volume: 9.224109052821424
  • Full Formula: H68 Ru4 N24 Cl12 O8
  • Reduced Formula: H17RuN6Cl3O2
  • Formula Anonymous: AB2C3D6E17
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -583.4240224600001
  • Final energy per atom: -5.029517435000001
  • 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.