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  1. Third-Parties
  2. MatprojStructure
  3. mp-29449

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-29449
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['Rb', 'Cu', 'Cl']
  • Chemical System: Cl-Cu-Rb
  • Density: 3.1188486620835745
  • Atomic Density: 0.034544411212645995
  • Unit Cell Volume: 2084.273474999692
  • Molar Volume: 17.43303923442012
  • Full Formula: Rb16 Cu20 Cl36
  • Reduced Formula: Rb4Cu5Cl9
  • Formula Anonymous: A4B5C9
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -266.37878204
  • Final energy per atom: -3.699705306111111
  • 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.