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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213647

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-1213647
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['H', 'Ru', 'N', 'Cl', 'O']
  • Chemical System: Cl-H-N-O-Ru
  • Density: 1.8141276055418298
  • Atomic Density: 0.04249891470236309
  • Unit Cell Volume: 1129.4406065699138
  • Molar Volume: 14.17010481838292
  • Full Formula: H4 Ru4 N24 Cl12 O4
  • Reduced Formula: HRuN6Cl3O
  • Formula Anonymous: ABCD3E6
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -269.97493138000004
  • Final energy per atom: -5.6244777370833345
  • 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.