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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204531

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-1204531
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 6
  • Element list: ['H', 'Ru', 'S', 'N', 'Cl', 'O']
  • Chemical System: Cl-H-N-O-Ru-S
  • Density: 1.8724554701905847
  • Atomic Density: 0.1021179799679559
  • Unit Cell Volume: 861.7483427268534
  • Molar Volume: 5.897238431361175
  • Full Formula: H46 Ru2 S4 N10 Cl2 O24
  • Reduced Formula: H23RuS2N5ClO12
  • Formula Anonymous: ABC2D5E12F23
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -483.96852185
  • Final energy per atom: -5.49964229375
  • 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.