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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234758

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-1234758
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 45
  • Number of elements: 6
  • Element list: ['Cs', 'Mg', 'Mn', 'H', 'Cl', 'O']
  • Chemical System: Cl-Cs-H-Mg-Mn-O
  • Density: 2.580786178554628
  • Atomic Density: 0.051989610429661805
  • Unit Cell Volume: 865.5575532900319
  • Molar Volume: 11.583354270652828
  • Full Formula: Cs4 Mg1 Mn4 H16 Cl12 O8
  • Reduced Formula: Cs4MgMn4H16(Cl3O2)4
  • Formula Anonymous: AB4C4D8E12F16
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -225.61048962
  • Final energy per atom: -5.0135664360000005
  • 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.