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  1. Third-Parties
  2. MatprojStructure
  3. mp-603609

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-603609
  • 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: 76
  • Number of elements: 5
  • Element list: ['Al', 'H', 'Ru', 'Cl', 'O']
  • Chemical System: Al-Cl-H-O-Ru
  • Density: 2.0119519897158087
  • Atomic Density: 0.08838511487237574
  • Unit Cell Volume: 859.8732955174714
  • Molar Volume: 6.813523712330645
  • Full Formula: Al2 H40 Ru2 Cl12 O20
  • Reduced Formula: AlH20Ru(Cl3O5)2
  • Formula Anonymous: ABC6D10E20
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -386.2548312200001
  • Final energy per atom: -5.0823004107894745
  • 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.