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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203438

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-1203438
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 126
  • Number of elements: 5
  • Element list: ['Mg', 'H', 'Ru', 'Cl', 'O']
  • Chemical System: Cl-H-Mg-O-Ru
  • Density: 2.0262549805935914
  • Atomic Density: 0.08452232622184273
  • Unit Cell Volume: 1490.7303860673724
  • Molar Volume: 7.124911285799095
  • Full Formula: Mg4 H64 Ru4 Cl20 O34
  • Reduced Formula: Mg2H32Ru2Cl10O17
  • Formula Anonymous: A2B2C10D17E32
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -636.7180325100001
  • Final energy per atom: -5.053317718333334
  • 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.