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  1. Third-Parties
  2. MatprojStructure
  3. mp-505659

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-505659
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Rb', 'Na', 'Mn', 'C', 'N']
  • Chemical System: C-Mn-N-Na-Rb
  • Density: 2.1669773475833427
  • Atomic Density: 0.05155903123250284
  • Unit Cell Volume: 620.6478134877597
  • Molar Volume: 11.680089047529735
  • Full Formula: Rb4 Na2 Mn2 C12 N12
  • Reduced Formula: Rb2NaMn(CN)6
  • Formula Anonymous: ABC2D6E6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -243.46043895
  • Final energy per atom: -7.6081387171875
  • 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.