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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182039

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-1182039
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 5
  • Element list: ['Li', 'H', 'Ru', 'Cl', 'O']
  • Chemical System: Cl-H-Li-O-Ru
  • Density: 1.8633026853179449
  • Atomic Density: 0.09371360818836762
  • Unit Cell Volume: 981.71441457122
  • Molar Volume: 6.426111294205307
  • Full Formula: Li6 H48 Ru2 Cl12 O24
  • Reduced Formula: Li3H24Ru(ClO2)6
  • Formula Anonymous: AB3C6D12E24
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -457.06676679
  • Final energy per atom: -4.968117030326087
  • 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.