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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203926

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-1203926
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 7
  • Element list: ['H', 'Ru', 'C', 'S', 'N', 'O', 'F']
  • Chemical System: C-F-H-N-O-Ru-S
  • Density: 2.0127441614043313
  • Atomic Density: 0.08879718831075545
  • Unit Cell Volume: 945.9758985389586
  • Molar Volume: 6.7819047816298665
  • Full Formula: H26 Ru2 C12 S2 N8 O16 F18
  • Reduced Formula: H13RuC6SN4O8F9
  • Formula Anonymous: ABC4D6E8F9G13
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -511.75915352
  • Final energy per atom: -6.092370875238095
  • 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.