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  1. Third-Parties
  2. MatprojStructure
  3. mp-27442

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-27442
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Rb', 'Cr', 'I']
  • Chemical System: Cr-I-Rb
  • Density: 4.206712450178756
  • Atomic Density: 0.02444473545221002
  • Unit Cell Volume: 818.1720779552074
  • Molar Volume: 24.635737096739764
  • Full Formula: Rb4 Cr4 I12
  • Reduced Formula: RbCrI3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -80.83041617
  • Final energy per atom: -4.0415208085000005
  • 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.