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  1. Third-Parties
  2. MatprojStructure
  3. mp-23928

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-23928
  • 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: 22
  • Number of elements: 5
  • Element list: ['Rb', 'Mn', 'H', 'Cl', 'O']
  • Chemical System: Cl-H-Mn-O-Rb
  • Density: 2.467113244975194
  • Atomic Density: 0.05779101524283564
  • Unit Cell Volume: 380.6820127238956
  • Molar Volume: 10.420548479197318
  • Full Formula: Rb2 Mn2 H8 Cl6 O4
  • Reduced Formula: RbMnH4Cl3O2
  • Formula Anonymous: ABC2D3E4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -113.11873567
  • Final energy per atom: -5.141760712272728
  • 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.