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  1. Third-Parties
  2. MatprojStructure
  3. mp-850221

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-850221
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 94
  • Number of elements: 5
  • Element list: ['H', 'Ru', 'S', 'N', 'O']
  • Chemical System: H-N-O-Ru-S
  • Density: 1.8141082795837842
  • Atomic Density: 0.11737539644250525
  • Unit Cell Volume: 800.8492652550455
  • Molar Volume: 5.130667024370703
  • Full Formula: H56 Ru2 S4 N12 O20
  • Reduced Formula: H28RuS2(N3O5)2
  • Formula Anonymous: AB2C6D10E28
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -512.36915491
  • Final energy per atom: -5.450735690531915
  • 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.