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  1. Third-Parties
  2. MatprojStructure
  3. mp-706304

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-706304
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 140
  • Number of elements: 7
  • Element list: ['H', 'Ru', 'C', 'S', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-H-N-O-Ru-S
  • Density: 1.809992471460078
  • Atomic Density: 0.09238578748884993
  • Unit Cell Volume: 1515.3846041188601
  • Molar Volume: 6.518470993957608
  • Full Formula: H72 Ru4 C24 S12 N12 Cl4 O12
  • Reduced Formula: H18RuC6S3N3ClO3
  • Formula Anonymous: ABC3D3E3F6G18
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -766.1714590700001
  • Final energy per atom: -5.472653279071429
  • 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.